 Entering Gaussian System, Link 0=g16
 Input=14_bornylOAc_STD_wB97XD-augccpVDZr.in
 Output=14_bornylOAc_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/14_bornylOAc_STD/Gau-86637.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/14_bornylOAc_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     86638.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=14_bornylOAc_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 23:14:49 2021, MaxMem= 17179869184 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "14_bornylOAc_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.240639000000     -1.220521000000     -1.593952000000
  C                                                -0.772379000000     -1.711714000000     -0.196556000000
  C                                                -1.356487000000      0.301932000000     -1.398559000000
  C                                                 0.077396000000      0.849484000000     -1.275021000000
  C                                                 0.495406000000      0.398364000000      0.144405000000
  C                                                -0.704790000000     -0.420476000000      0.653009000000
  H                                                -2.195583000000     -1.663465000000     -1.875848000000
  H                                                -0.528201000000     -1.466626000000     -2.381766000000
  H                                                 0.193323000000     -2.210778000000     -0.227221000000
  H                                                -1.481233000000     -2.413249000000      0.242895000000
  C                                                -1.888350000000      0.419572000000      0.056917000000
  H                                                -1.959508000000      0.805110000000     -2.154682000000
  H                                                 0.128882000000      1.932113000000     -1.369936000000
  H                                                 0.741881000000      0.427523000000     -2.028774000000
  H                                                 0.689863000000      1.251037000000      0.790022000000
  O                                                 1.689332000000     -0.414672000000      0.164040000000
  C                                                -0.691646000000     -0.656663000000      2.148773000000
  C                                                -3.263934000000     -0.215407000000      0.272245000000
  C                                                -1.976808000000      1.860613000000      0.570939000000
  H                                                 0.188258000000     -1.234779000000      2.438218000000
  H                                                -1.573690000000     -1.214726000000      2.468040000000
  H                                                -0.666490000000      0.284659000000      2.701973000000
  H                                                -3.312198000000     -1.262484000000     -0.016360000000
  H                                                -4.016543000000      0.322861000000     -0.308315000000
  H                                                -3.555175000000     -0.148366000000      1.322428000000
  H                                                -1.062281000000      2.434735000000      0.442068000000
  H                                                -2.228382000000      1.873406000000      1.633417000000
  H                                                -2.771733000000      2.392658000000      0.043778000000
  C                                                 2.862479000000      0.235712000000      0.052007000000
  C                                                 4.017566000000     -0.727490000000      0.101407000000
  O                                                 2.958317000000      1.430494000000     -0.072931000000
  H                                                 3.985571000000     -1.302060000000      1.027842000000
  H                                                 4.952347000000     -0.178454000000      0.034385000000
  H                                                 3.942814000000     -1.436137000000     -0.724719000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     34 NQM=       34 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1          16          12          12          12           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           1           1           1           1           0           0           0           0           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        31          32          33          34
 IAtWgt=          16           1           1           1
 AtmWgt=  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1
 AtZEff=   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 23:14:49 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.553465   0.000000
     3  C    1.539306   2.416767   0.000000
     4  C    2.474642   2.906018   1.539836   0.000000
     5  C    2.942197   2.485148   2.412373   1.546936   0.000000
     6  C    2.444594   1.547134   2.270576   2.437604   1.539366
     7  H    1.089763   2.201785   2.189674   3.441270   3.946389
     8  H    1.090315   2.212427   2.186447   2.637423   3.302650
     9  H    2.214680   1.087468   3.176107   3.236746   2.652731
    10  H    2.203291   1.089836   3.175239   3.921584   3.438309
    11  C    2.415534   2.419095   1.554068   2.413098   2.385455
    12  H    2.221345   3.402637   1.090204   2.219178   3.387897
    13  H    3.444542   3.932756   2.205591   1.088001   2.186311
    14  H    2.614480   3.197865   2.194560   1.089833   2.187306
    15  H    3.939387   3.448098   3.142966   2.191064   1.087054
    16  O    3.510649   2.805774   3.497463   2.503463   1.444601
    17  C    3.824568   2.572979   3.734231   3.818674   2.557277
    18  C    2.930302   2.943901   2.587968   3.833081   3.811259
    19  C    3.836937   3.847235   2.587123   2.941038   2.903781
    20  H    4.277890   2.844701   4.412321   4.259646   2.832503
    21  H    4.075627   2.826512   4.159088   4.582309   3.504639
    22  H    4.588048   3.521106   4.158216   4.085202   2.811420
    23  H    2.604211   2.585529   2.860538   4.187360   4.157176
    24  H    3.426446   3.831003   2.874886   4.239362   4.535233
    25  H    3.874515   3.534872   3.527147   4.575808   4.253688
    26  H    4.187850   4.205345   2.832545   2.600054   2.581046
    27  H    4.578639   4.280401   3.524572   3.850200   3.436848
    28  H    4.252231   4.571766   2.907644   3.498307   3.829038
    29  C    4.654608   4.131155   4.461861   3.145538   2.374453
    30  C    5.546714   4.899087   5.673628   4.461652   3.697973
    31  O    5.193517   4.879226   4.652792   3.175264   2.679264
    32  H    5.847540   4.930016   6.082581   5.020573   3.981602
    33  H    6.487716   5.930996   6.487333   5.151344   4.495458
    34  H    5.260251   4.752678   5.617609   4.524196   4.000674
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.187884   0.000000
     8  H    3.214883   1.753528   0.000000
     9  H    2.187828   2.953709   2.390904   0.000000
    10  H    2.177660   2.358293   2.948425   1.751040   0.000000
    11  C    1.569019   2.858149   3.369707   3.366428   2.867962
    12  H    3.310515   2.495464   2.694623   4.176765   4.041653
    13  H    3.212785   4.311295   3.606520   4.298081   4.906716
    14  H    3.162897   3.608921   2.307707   3.241472   4.262945
    15  H    2.181235   4.891522   4.350817   3.642183   4.294182
    16  O    2.443552   4.562148   3.536268   2.370047   3.748735
    17  C    1.514354   4.412828   4.605273   2.973851   2.709504
    18  C    2.595429   2.802240   4.011678   4.022884   2.830087
    19  C    2.613070   4.295783   4.678402   4.682174   4.314986
    20  H    2.155828   4.947488   4.878454   2.838515   2.999239
    21  H    2.163367   4.411063   4.967607   3.373260   2.529086
    22  H    2.167242   5.204782   5.378710   3.942926   3.740264
    23  H    2.820569   2.205745   3.658888   3.637637   2.178051
    24  H    3.527662   3.117458   4.435087   4.914150   3.770667
    25  H    2.940554   3.791172   4.961999   4.550406   3.255199
    26  H    2.885225   4.842763   4.845606   4.858527   4.870127
    27  H    2.923085   4.982517   5.492552   5.099724   4.568062
    28  H    3.543605   4.524273   5.080430   5.482392   4.980139
    29  C    3.676574   5.736505   4.507540   3.631484   5.091293
    30  C    4.764364   6.587018   5.232253   4.114970   5.753138
    31  O    4.167905   6.275809   5.087222   4.574698   5.880792
    32  H    4.787189   6.838764   5.659209   4.096596   5.633545
    33  H    5.696005   7.546334   6.126465   5.181418   6.813864
    34  H    4.952769   6.249535   4.768303   3.860862   5.595651
                   11         12         13         14         15
    11  C    0.000000
    12  H    2.246080   0.000000
    13  H    2.897053   2.499467   0.000000
    14  H    3.356827   2.730554   1.753176   0.000000
    15  H    2.806414   3.986138   2.333234   2.937089   0.000000
    16  O    3.675221   4.492034   3.208658   2.532862   2.040926
    17  C    2.639364   4.718472   4.444811   4.547786   2.719208
    18  C    1.530293   2.938189   4.338179   4.664183   4.248654
    19  C    1.532528   2.922909   2.864618   4.025360   2.744215
    20  H    3.566479   5.465233   4.953258   4.798308   3.024473
    21  H    2.929753   5.059462   5.247038   5.317912   3.744249
    22  H    2.916756   5.052708   4.463985   4.938004   2.535574
    23  H    2.205000   3.267589   4.886579   4.831303   4.794219
    24  H    2.161470   2.805892   4.571792   5.060981   4.921190
    25  H    2.168497   3.942786   5.014927   5.479680   4.501348
    26  H    2.211699   3.194339   2.225951   3.659093   2.142947
    27  H    2.171315   3.945028   3.818412   4.932006   3.100776
    28  H    2.161853   2.830767   3.259487   4.527992   3.720595
    29  C    4.754388   5.333409   3.517421   2.977142   2.509146
    30  C    6.016442   6.569948   4.935605   4.074535   3.932222
    31  O    4.952677   5.376783   3.152705   3.121516   2.433675
    32  H    6.197553   7.064884   5.575237   4.780783   4.175710
    33  H    6.866824   7.316635   5.449076   4.727775   4.558860
    34  H    6.169042   6.473437   5.129083   3.926800   4.482972
                   16         17         18         19         20
    16  O    0.000000
    17  C    3.109145   0.000000
    18  C    4.958453   3.214456   0.000000
    19  C    4.333944   3.236955   2.460848   0.000000
    20  H    2.845643   1.091892   4.200975   4.213751   0.000000
    21  H    4.073796   1.091498   2.945688   3.635823   1.762314
    22  H    3.532714   1.092131   3.591707   2.956665   1.763194
    23  H    5.076084   3.452841   1.087195   3.447016   4.275385
    24  H    5.772702   4.248728   1.092338   2.701534   5.258330
    25  H    5.377512   3.023410   1.091879   2.663076   4.054451
    26  H    3.970868   3.550627   3.449546   1.087467   4.360481
    27  H    4.768947   3.004729   2.699685   1.091931   4.018540
    28  H    5.272254   4.249250   2.663919   1.092189   5.258630
    29  C    1.346040   4.221915   6.146946   5.131110   3.873991
    30  C    2.349990   5.135504   7.301483   6.546087   4.514602
    31  O    2.251914   4.755462   6.445506   4.995501   4.591598
    32  H    2.608893   4.852771   7.369333   6.764704   4.051330
    33  H    3.274122   6.045989   8.219806   7.242850   5.439741
    34  H    2.628966   5.508426   7.377082   6.898494   4.913391
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768019   0.000000
    23  H    3.032645   4.096676   0.000000
    24  H    4.004978   4.504015   1.759164   0.000000
    25  H    2.525041   3.230349   1.758593   1.759045   0.000000
    26  H    4.205314   3.144304   4.352208   3.708200   3.696210
    27  H    3.265238   2.470918   3.705432   3.061378   2.438166
    28  H    4.508389   3.992707   3.695373   2.440816   2.950514
    29  C    5.255529   4.413427   6.354203   6.889004   6.553455
    30  C    6.091018   5.452318   7.350206   8.112830   7.692378
    31  O    5.830335   4.706618   6.824565   7.066182   6.845831
    32  H    5.743447   5.192501   7.372202   8.274026   7.634176
    33  H    7.041711   6.237133   8.335490   8.989424   8.604527
    34  H    6.377660   5.995752   7.291579   8.162036   7.878388
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.759032   0.000000
    28  H    1.755742   1.758353   0.000000
    29  C    4.515705   5.576716   6.032978   0.000000
    30  C    5.993377   6.937116   7.472163   1.504800   0.000000
    31  O    4.175995   5.478106   5.811442   1.205113   2.410248
    32  H    6.307740   7.004535   7.764051   2.139704   1.090613
    33  H    6.570442   7.637402   8.140769   2.130585   1.086162
    34  H    6.433974   7.389015   7.767587   2.136704   1.090987
                   31         32         33         34
    31  O    0.000000
    32  H    3.119904   0.000000
    33  H    2.564447   1.784406   0.000000
    34  H    3.100264   1.758202   1.782460   0.000000
 Stoichiometry    C12H20O2
 Framework group  C1[X(C12H20O2)]
 Deg. of freedom    96
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.09D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2924380           0.4724883           0.4648286
 Leave Link  202 at Fri Jul  9 23:14:50 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     12     13     14     15     20     21
 Centers:      22     23     24     25     26     27     28     32     33     34
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     11     17     18     19
 Centers:      29     30
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      16     31
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  42 primitive shells out of 552 were deleted.
 There are   530 symmetry adapted cartesian basis functions of A   symmetry.
 There are   502 symmetry adapted basis functions of A   symmetry.
   502 basis functions,   898 primitive gaussians,   530 cartesian basis functions
    54 alpha electrons       54 beta electrons
       nuclear repulsion energy      1014.9172554271 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   34 NActive=   34 NUniq=   34 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0311356954 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1014.8861197317 Hartrees.
 Leave Link  301 at Fri Jul  9 23:14:51 2021, MaxMem= 17179869184 cpu:              15.3 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   502 RedAO= T EigKep=  1.57D-06  NBF=   502
 NBsUse=   502 1.00D-06 EigRej= -1.00D+00 NBFU=   502
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   530   530   530   530   530 MxSgAt=    34 MxSgA2=    34.
 Leave Link  302 at Fri Jul  9 23:14:52 2021, MaxMem= 17179869184 cpu:               7.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 23:14:52 2021, MaxMem= 17179869184 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "14_bornylOAc_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 23:14:53 2021, MaxMem= 17179869184 cpu:               9.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179295890 LenY= 17179014460
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -619.684757687334    
 DIIS: error= 1.58D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -619.684757687334     IErMin= 1 ErrMin= 1.58D-03
 ErrMax= 1.58D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.09D-03 BMatP= 8.09D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.58D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 GapD=    0.441 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=2.41D-02 MaxDP=3.34D+00              OVMax= 1.05D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.12D-02    CP:  1.37D+00
 E= -619.690788537671     Delta-E=       -0.006030850337 Rises=F Damp=F
 DIIS: error= 3.18D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -619.690788537671     IErMin= 2 ErrMin= 3.18D-04
 ErrMax= 3.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-04 BMatP= 8.09D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.18D-03
 Coeff-Com: -0.293D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.292D-01 0.103D+01
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=3.45D-03 MaxDP=5.40D-01 DE=-6.03D-03 OVMax= 3.32D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.49D-04    CP:  1.43D+00  1.14D+00
 E= -619.690887854789     Delta-E=       -0.000099317117 Rises=F Damp=F
 DIIS: error= 3.95D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -619.690887854789     IErMin= 2 ErrMin= 3.18D-04
 ErrMax= 3.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-04 BMatP= 1.48D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.95D-03
 Coeff-Com: -0.326D-01 0.510D+00 0.522D+00
 Coeff-En:   0.000D+00 0.135D+00 0.865D+00
 Coeff:     -0.325D-01 0.509D+00 0.524D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=2.34D-04 MaxDP=3.38D-02 DE=-9.93D-05 OVMax= 1.33D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.47D-05    CP:  1.43D+00  1.14D+00  1.06D+00
 E= -619.690979253413     Delta-E=       -0.000091398624 Rises=F Damp=F
 DIIS: error= 5.43D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -619.690979253413     IErMin= 4 ErrMin= 5.43D-05
 ErrMax= 5.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-06 BMatP= 1.31D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.258D-02-0.181D-01 0.965D-01 0.924D+00
 Coeff:     -0.258D-02-0.181D-01 0.965D-01 0.924D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=1.20D-04 MaxDP=1.80D-02 DE=-9.14D-05 OVMax= 4.07D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.78D-05    CP:  1.43D+00  1.15D+00  1.12D+00  1.39D+00
 E= -619.690982278755     Delta-E=       -0.000003025342 Rises=F Damp=F
 DIIS: error= 1.28D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -619.690982278755     IErMin= 5 ErrMin= 1.28D-05
 ErrMax= 1.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-07 BMatP= 2.75D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-02-0.365D-01-0.840D-02 0.256D+00 0.788D+00
 Coeff:      0.126D-02-0.365D-01-0.840D-02 0.256D+00 0.788D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=1.84D-05 MaxDP=1.64D-03 DE=-3.03D-06 OVMax= 1.15D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.04D-06    CP:  1.43D+00  1.15D+00  1.13D+00  1.45D+00  1.22D+00
 E= -619.690982512048     Delta-E=       -0.000000233294 Rises=F Damp=F
 DIIS: error= 4.55D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -619.690982512048     IErMin= 6 ErrMin= 4.55D-06
 ErrMax= 4.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.21D-08 BMatP= 2.34D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.634D-03-0.110D-01-0.985D-02 0.252D-01 0.302D+00 0.693D+00
 Coeff:      0.634D-03-0.110D-01-0.985D-02 0.252D-01 0.302D+00 0.693D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=5.22D-06 MaxDP=7.52D-04 DE=-2.33D-07 OVMax= 3.93D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.65D-06    CP:  1.43D+00  1.15D+00  1.13D+00  1.48D+00  1.26D+00
                    CP:  1.03D+00
 E= -619.690982542997     Delta-E=       -0.000000030949 Rises=F Damp=F
 DIIS: error= 2.31D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -619.690982542997     IErMin= 7 ErrMin= 2.31D-06
 ErrMax= 2.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.47D-09 BMatP= 3.21D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.169D-03-0.188D-02-0.352D-02-0.949D-02 0.590D-01 0.303D+00
 Coeff-Com:  0.652D+00
 Coeff:      0.169D-03-0.188D-02-0.352D-02-0.949D-02 0.590D-01 0.303D+00
 Coeff:      0.652D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=2.17D-06 MaxDP=3.10D-04 DE=-3.09D-08 OVMax= 2.13D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.00D-07    CP:  1.43D+00  1.15D+00  1.13D+00  1.48D+00  1.27D+00
                    CP:  1.06D+00  1.18D+00
 E= -619.690982546981     Delta-E=       -0.000000003983 Rises=F Damp=F
 DIIS: error= 6.69D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -619.690982546981     IErMin= 8 ErrMin= 6.69D-07
 ErrMax= 6.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.21D-10 BMatP= 4.47D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.455D-04 0.131D-02 0.203D-03-0.104D-01-0.349D-01 0.119D-01
 Coeff-Com:  0.320D+00 0.712D+00
 Coeff:     -0.455D-04 0.131D-02 0.203D-03-0.104D-01-0.349D-01 0.119D-01
 Coeff:      0.320D+00 0.712D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=1.06D-06 MaxDP=1.46D-04 DE=-3.98D-09 OVMax= 9.28D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.99D-07    CP:  1.43D+00  1.15D+00  1.13D+00  1.48D+00  1.27D+00
                    CP:  1.09D+00  1.26D+00  1.38D+00
 E= -619.690982547656     Delta-E=       -0.000000000676 Rises=F Damp=F
 DIIS: error= 1.95D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -619.690982547656     IErMin= 9 ErrMin= 1.95D-07
 ErrMax= 1.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.95D-11 BMatP= 8.21D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.308D-04 0.697D-03 0.363D-03-0.346D-02-0.200D-01-0.204D-01
 Coeff-Com:  0.852D-01 0.297D+00 0.661D+00
 Coeff:     -0.308D-04 0.697D-03 0.363D-03-0.346D-02-0.200D-01-0.204D-01
 Coeff:      0.852D-01 0.297D+00 0.661D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=1.66D-07 MaxDP=1.13D-05 DE=-6.76D-10 OVMax= 2.82D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.08D-07    CP:  1.43D+00  1.15D+00  1.13D+00  1.48D+00  1.27D+00
                    CP:  1.09D+00  1.29D+00  1.42D+00  1.13D+00
 E= -619.690982547753     Delta-E=       -0.000000000097 Rises=F Damp=F
 DIIS: error= 4.76D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -619.690982547753     IErMin=10 ErrMin= 4.76D-08
 ErrMax= 4.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.73D-12 BMatP= 5.95D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.447D-05 0.475D-04 0.892D-04 0.436D-03-0.158D-02-0.870D-02
 Coeff-Com: -0.158D-01-0.159D-01 0.206D+00 0.835D+00
 Coeff:     -0.447D-05 0.475D-04 0.892D-04 0.436D-03-0.158D-02-0.870D-02
 Coeff:     -0.158D-01-0.159D-01 0.206D+00 0.835D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=1.12D-07 MaxDP=2.00D-05 DE=-9.69D-11 OVMax= 1.31D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.39D-08    CP:  1.43D+00  1.15D+00  1.13D+00  1.48D+00  1.27D+00
                    CP:  1.09D+00  1.29D+00  1.46D+00  1.17D+00  1.10D+00
 E= -619.690982547641     Delta-E=        0.000000000112 Rises=F Damp=F
 DIIS: error= 1.32D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -619.690982547753     IErMin=11 ErrMin= 1.32D-08
 ErrMax= 1.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-13 BMatP= 5.73D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.208D-05-0.588D-04-0.194D-04 0.465D-03 0.160D-02-0.928D-04
 Coeff-Com: -0.109D-01-0.349D-01-0.764D-02 0.195D+00 0.856D+00
 Coeff:      0.208D-05-0.588D-04-0.194D-04 0.465D-03 0.160D-02-0.928D-04
 Coeff:     -0.109D-01-0.349D-01-0.764D-02 0.195D+00 0.856D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=4.07D-08 MaxDP=7.35D-06 DE= 1.12D-10 OVMax= 5.01D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.49D-08    CP:  1.43D+00  1.15D+00  1.13D+00  1.48D+00  1.27D+00
                    CP:  1.09D+00  1.29D+00  1.46D+00  1.19D+00  1.18D+00
                    CP:  1.17D+00
 E= -619.690982547652     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 6.97D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -619.690982547753     IErMin=12 ErrMin= 6.97D-09
 ErrMax= 6.97D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.33D-14 BMatP= 4.08D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.998D-06-0.218D-04-0.154D-04 0.961D-04 0.598D-03 0.667D-03
 Coeff-Com: -0.171D-02-0.980D-02-0.194D-01-0.259D-01 0.270D+00 0.786D+00
 Coeff:      0.998D-06-0.218D-04-0.154D-04 0.961D-04 0.598D-03 0.667D-03
 Coeff:     -0.171D-02-0.980D-02-0.194D-01-0.259D-01 0.270D+00 0.786D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=5.75D-09 MaxDP=6.82D-07 DE=-1.09D-11 OVMax= 1.95D-07

 SCF Done:  E(RwB97XD) =  -619.690982548     A.U. after   12 cycles
            NFock= 12  Conv=0.57D-08     -V/T= 2.0063
 KE= 6.158376133420D+02 PE=-3.471098543392D+03 EE= 1.220683827770D+03
 Leave Link  502 at Fri Jul  9 23:23:09 2021, MaxMem= 17179869184 cpu:            5939.5 elap:             496.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   502
 NBasis=   502 NAE=    54 NBE=    54 NFC=     0 NFV=     0
 NROrb=    502 NOA=    54 NOB=    54 NVA=   448 NVB=   448

 **** Warning!!: The largest alpha MO coefficient is  0.13479999D+03

 Leave Link  801 at Fri Jul  9 23:23:10 2021, MaxMem= 17179869184 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10525 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          34
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.03D-13 8.33D-09 XBig12= 1.00D+00 1.29D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.03D-13 8.33D-09 XBig12= 2.10D-01 3.42D-02.
     11 vectors produced by pass  2 Test12= 4.03D-13 8.33D-09 XBig12= 4.70D-02 1.97D-02.
     11 vectors produced by pass  3 Test12= 4.03D-13 8.33D-09 XBig12= 3.08D-03 5.00D-03.
     11 vectors produced by pass  4 Test12= 4.03D-13 8.33D-09 XBig12= 3.48D-04 1.38D-03.
     11 vectors produced by pass  5 Test12= 4.03D-13 8.33D-09 XBig12= 4.21D-05 6.39D-04.
     11 vectors produced by pass  6 Test12= 4.03D-13 8.33D-09 XBig12= 3.03D-06 1.16D-04.
     11 vectors produced by pass  7 Test12= 4.03D-13 8.33D-09 XBig12= 1.43D-07 3.47D-05.
     11 vectors produced by pass  8 Test12= 4.03D-13 8.33D-09 XBig12= 3.71D-09 5.09D-06.
     11 vectors produced by pass  9 Test12= 4.03D-13 8.33D-09 XBig12= 7.09D-11 5.97D-07.
      8 vectors produced by pass 10 Test12= 4.03D-13 8.33D-09 XBig12= 1.72D-12 8.69D-08.
      2 vectors produced by pass 11 Test12= 4.03D-13 8.33D-09 XBig12= 6.78D-14 1.59D-08.
      2 vectors produced by pass 12 Test12= 4.03D-13 8.33D-09 XBig12= 3.33D-14 1.03D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.164271D+03
      2 -0.214268D+01  0.138657D+03
      3 -0.754780D+00 -0.443423D+00  0.132723D+03
 Isotropic polarizability for W=    0.085645      145.22 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.949572D+01  0.371156D+01 -0.250536D+00
      2   0.976989D+01  0.445451D+01 -0.113614D+02
      3  -0.274166D+00 -0.816607D+01  0.116119D+02
      4  -0.113091D+02 -0.516236D+02 -0.134433D+02
      5   0.742588D+01 -0.123609D+02 -0.103328D+03
      6  -0.543699D+01  0.144283D+01 -0.327867D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.138100D+00  0.845252D+00  0.829139D+01
      2  -0.364602D+00 -0.459149D+01 -0.492446D+02
      3  -0.452324D+01  0.230171D+02  0.359581D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.108236D+01  0.128042D+02  0.246206D+02
      2  -0.767641D+01 -0.800628D+01 -0.103053D+03
      3  -0.150206D+02  0.613935D+02  0.692392D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.227252D+00  0.520813D+00  0.257963D+00
      2   0.520813D+00 -0.272716D+00  0.134938D+01
      3   0.257963D+00  0.134938D+01 -0.633816D+00
 OR G Eigenvalues:    -1.8296    -0.4444     1.1402  Iso=     0.3779
 Eigenvectors:
   (1)   0.099584  -0.670518   0.735179
   (2)   0.918890  -0.221485  -0.326474
   (3)   0.381737   0.708061   0.594076
 w=    0.085645 a.u., Optical Rotation Beta=      0.3779 au.
 Molar Mass =    196.2888 grams/mole, [Alpha] ( 5320.0 A) =       91.31 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  126253 ScalPx= 2.00D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  126253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.55D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.72D-14 2.78D-09 XBig12= 1.00D+00 2.65D-01.
     30 vectors produced by pass  1 Test12= 6.72D-14 2.78D-09 XBig12= 4.17D-02 1.74D-02.
     30 vectors produced by pass  2 Test12= 6.72D-14 2.78D-09 XBig12= 2.79D-03 6.20D-03.
     30 vectors produced by pass  3 Test12= 6.72D-14 2.78D-09 XBig12= 5.90D-05 8.56D-04.
     30 vectors produced by pass  4 Test12= 6.72D-14 2.78D-09 XBig12= 1.26D-06 8.70D-05.
     30 vectors produced by pass  5 Test12= 6.72D-14 2.78D-09 XBig12= 2.12D-08 1.07D-05.
     30 vectors produced by pass  6 Test12= 6.72D-14 2.78D-09 XBig12= 2.53D-10 1.57D-06.
     30 vectors produced by pass  7 Test12= 6.72D-14 2.78D-09 XBig12= 2.55D-12 1.84D-07.
     20 vectors produced by pass  8 Test12= 6.72D-14 2.78D-09 XBig12= 2.93D-14 1.12D-08.
      8 vectors produced by pass  9 Test12= 6.72D-14 2.78D-09 XBig12= 4.56D-15 5.60D-09.
      2 vectors produced by pass 10 Test12= 6.72D-14 2.78D-09 XBig12= 1.62D-15 4.05D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   270 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  126253 ScalPx= 1.02D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  126253 ScalPx= 1.02D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  126253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.56D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164271D+03 -0.214268D+01 -0.754780D+00
      2  -0.214268D+01  0.138657D+03 -0.443423D+00
      3  -0.754780D+00 -0.443423D+00  0.132723D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.138100D+00  0.845252D+00  0.829139D+01
      2  -0.364602D+00 -0.459149D+01 -0.492446D+02
      3  -0.452324D+01  0.230171D+02  0.359581D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.949572D+01  0.371156D+01 -0.250536D+00
      2   0.976989D+01  0.445451D+01 -0.113614D+02
      3  -0.274166D+00 -0.816607D+01  0.116119D+02
      4  -0.113091D+02 -0.516236D+02 -0.134433D+02
      5   0.742588D+01 -0.123609D+02 -0.103328D+03
      6  -0.543699D+01  0.144283D+01 -0.327867D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.261105D+01  0.303907D+01  0.349441D+01  0.235052D+01  0.731163D+00
      2   0.303907D+01  0.839417D+00  0.223752D+00  0.731163D+00 -0.332820D+01
      3   0.349441D+01  0.223752D+00 -0.376447D+01  0.637350D+00 -0.532537D-01
                 6             7             8             9            10 
      1   0.637350D+00  0.203254D+01  0.398498D+00 -0.332000D+01 -0.167551D+01
      2  -0.532537D-01  0.398498D+00 -0.752541D-01  0.282163D+01  0.385470D+01
      3   0.254780D+01 -0.332000D+01  0.282163D+01  0.398676D+00 -0.130391D+01
                11            12            13            14            15 
      1   0.385470D+01 -0.130391D+01  0.344739D+01  0.350570D+00 -0.139322D+01
      2   0.322364D+00 -0.138250D+01  0.350570D+00  0.141431D+00 -0.308163D+01
      3  -0.138250D+01  0.202735D+01 -0.139322D+01 -0.308163D+01 -0.288471D+01
                16            17            18            19            20 
      1  -0.681847D+00 -0.165488D+01  0.142539D+01 -0.130596D+01 -0.356556D+01
      2  -0.165488D+01 -0.277891D+01 -0.158257D+01 -0.356556D+01  0.435266D+00
      3   0.142539D+01 -0.158257D+01  0.204745D+01  0.361833D+00 -0.126357D+01
                21            22            23            24            25 
      1   0.361833D+00 -0.389015D+01  0.428207D+00 -0.150292D+01 -0.565326D+00
      2  -0.126357D+01  0.428207D+00  0.370131D+01  0.215940D+01 -0.124814D+01
      3   0.473803D+01 -0.150292D+01  0.215940D+01 -0.243606D+01  0.579549D+01
                26            27            28            29            30 
      1  -0.124814D+01  0.579549D+01  0.105958D+01  0.188766D+01  0.147332D+01
      2   0.868469D+00 -0.342486D+01  0.188766D+01 -0.189540D+00  0.979826D-01
      3  -0.342486D+01 -0.128262D+01  0.147332D+01  0.979826D-01 -0.337933D+01
                31            32            33            34            35 
      1   0.266862D+01 -0.817905D+00 -0.214486D+00  0.129766D+00  0.403734D+00
      2  -0.817905D+00 -0.484467D+01  0.113339D+01  0.403734D+00  0.380203D+00
      3  -0.214486D+00  0.113339D+01  0.239696D+01 -0.367040D+01  0.182493D+01
                36            37            38            39            40 
      1  -0.367040D+01 -0.579288D+01  0.167005D+01 -0.133937D+01  0.294629D+01
      2   0.182493D+01  0.167005D+01  0.782570D+00 -0.109616D+01 -0.269747D+00
      3  -0.564856D+00 -0.133937D+01 -0.109616D+01  0.314112D+01 -0.108300D+01
                41            42            43            44            45 
      1  -0.269747D+00 -0.108300D+01  0.470719D+00 -0.795839D+00  0.138052D+01
      2  -0.899990D+00 -0.230782D+01 -0.795839D+00 -0.151941D+01 -0.173496D+01
      3  -0.230782D+01 -0.277172D+01  0.138052D+01 -0.173496D+01  0.169507D+01
                46            47            48            49            50 
      1   0.212608D+01 -0.463970D+01  0.312033D+01 -0.613414D+01  0.100711D+01
      2  -0.463970D+01  0.116257D+01  0.514993D+00  0.100711D+01  0.536604D+00
      3   0.312033D+01  0.514993D+00  0.523378D+00  0.485599D+00  0.377926D+01
                51            52            53            54            55 
      1   0.485599D+00  0.351246D+01 -0.807360D-01 -0.110206D-01 -0.571120D+01
      2   0.377926D+01 -0.807360D-01  0.437869D+01  0.184720D+01 -0.267676D+01
      3   0.153654D+01 -0.110206D-01  0.184720D+01 -0.389197D+01 -0.263939D+01
                56            57            58            59            60 
      1  -0.267676D+01 -0.263939D+01 -0.216509D+01 -0.190340D+01 -0.111016D+01
      2  -0.252571D+01 -0.155639D+01 -0.190340D+01 -0.199211D+01 -0.124149D+01
      3  -0.155639D+01 -0.236864D+01 -0.111016D+01 -0.124149D+01 -0.148879D+01
                61            62            63            64            65 
      1  -0.147407D+01 -0.930941D+00 -0.147985D+01  0.186743D+01 -0.119829D+01
      2  -0.930941D+00 -0.894815D+00 -0.130404D+01 -0.119829D+01  0.140068D+01
      3  -0.147985D+01 -0.130404D+01 -0.189655D+01 -0.238340D+01  0.134225D+01
                66            67            68            69            70 
      1  -0.238340D+01 -0.696760D+00  0.630908D+00  0.388045D+00 -0.179631D+01
      2   0.134225D+01  0.630908D+00 -0.103105D+01 -0.139315D+01  0.630391D+00
      3   0.381471D+01  0.388045D+00 -0.139315D+01 -0.162334D+01  0.215502D+01
                71            72            73            74            75 
      1   0.630391D+00  0.215502D+01  0.408122D+01 -0.340208D+01  0.242567D+00
      2  -0.170377D+01 -0.232608D+01 -0.340208D+01  0.328419D+01  0.238732D+00
      3  -0.232608D+01 -0.623281D+01  0.242567D+00  0.238732D+00  0.880870D+00
                76            77            78            79            80 
      1  -0.322575D+01  0.164889D+01  0.185278D+00 -0.946032D-01  0.152301D+00
      2   0.164889D+01 -0.334884D+01  0.214969D+00  0.152301D+00  0.186855D+00
      3   0.185278D+00  0.214969D+00 -0.364148D+00  0.592044D+00 -0.563104D+00
                81            82            83            84            85 
      1   0.592044D+00 -0.310947D+01 -0.184084D+01  0.874499D+00 -0.174948D+01
      2  -0.563104D+00 -0.184084D+01 -0.328824D+01  0.963227D+00 -0.227731D+01
      3  -0.169218D+00  0.874499D+00  0.963227D+00 -0.139011D+01  0.635768D+00
                86            87            88            89            90 
      1  -0.227731D+01  0.635768D+00  0.975448D+00  0.105739D+01 -0.100421D+01
      2  -0.496946D+01  0.161562D+01  0.105739D+01  0.231236D+01 -0.127378D+01
      3   0.161562D+01 -0.108767D+01 -0.100421D+01 -0.127378D+01  0.124039D+01
                91            92            93            94            95 
      1  -0.929211D+00  0.564222D+01 -0.218035D+01  0.676388D+01 -0.567443D+00
      2   0.564222D+01 -0.132815D+01  0.916168D+00 -0.567443D+00 -0.372211D+01
      3  -0.218035D+01  0.916168D+00 -0.450668D+01  0.108916D+01 -0.351897D+01
                96            97            98            99           100 
      1   0.108916D+01 -0.159940D+01  0.679671D+00 -0.408627D+01 -0.324942D+01
      2  -0.351897D+01  0.679671D+00 -0.299275D+01  0.101055D+01  0.180254D+01
      3   0.142375D+01 -0.408627D+01  0.101055D+01  0.472056D+01 -0.274585D+01
               101           102           103           104           105 
      1   0.180254D+01 -0.274585D+01  0.193390D+01 -0.140489D+01  0.131502D+01
      2  -0.140992D+01  0.131457D+01 -0.140489D+01  0.189039D+01 -0.226163D+01
      3   0.131457D+01 -0.338515D+01  0.131502D+01 -0.226163D+01  0.254580D+01
               106           107           108           109           110 
      1  -0.210891D+01  0.897511D+00 -0.298651D+01  0.303184D+00  0.892754D+00
      2   0.897511D+00 -0.176668D+01  0.220400D+01  0.892754D+00  0.387575D+00
      3  -0.298651D+01  0.220400D+01 -0.560394D+01 -0.277218D+00 -0.157513D+00
               111           112           113           114           115 
      1  -0.277218D+00  0.148969D+01  0.859021D+00 -0.247946D+00 -0.436041D-01
      2  -0.157513D+00  0.859021D+00  0.779589D+01 -0.203573D+01 -0.145963D+00
      3   0.311231D+00 -0.247946D+00 -0.203573D+01  0.172627D+01  0.409310D+00
               116           117           118           119           120 
      1  -0.145963D+00  0.409310D+00  0.341336D+01 -0.501453D+00 -0.228130D+01
      2  -0.100648D+01  0.110399D+01 -0.501453D+00  0.554983D+00  0.116587D+00
      3   0.110399D+01 -0.806428D+00 -0.228130D+01  0.116587D+00  0.286847D+01
               121           122           123           124           125 
      1  -0.171782D+01  0.558527D+00  0.847717D+00 -0.279413D+01  0.458672D-01
      2   0.558527D+00 -0.659410D-01 -0.939763D+00  0.458672D-01 -0.924034D+00
      3   0.847717D+00 -0.939763D+00 -0.171745D+01  0.260545D+01 -0.417425D+00
               126           127           128           129           130 
      1   0.260545D+01  0.144203D+01  0.936355D+00  0.997323D+00  0.260072D+01
      2  -0.417425D+00  0.936355D+00  0.154350D+00  0.324472D+00  0.214945D-01
      3  -0.461921D+01  0.997323D+00  0.324472D+00  0.295096D+00  0.402096D+00
               131           132           133           134           135 
      1   0.214945D-01  0.402096D+00  0.139045D+01  0.432966D+00  0.218358D+00
      2   0.308193D+01  0.170472D+01  0.432966D+00  0.179052D+01  0.162204D+01
      3   0.170472D+01  0.214725D+01  0.218358D+00  0.162204D+01  0.236006D+01
               136           137           138           139           140 
      1   0.138819D+01 -0.180358D+01  0.636546D+00 -0.497511D+01  0.696391D+00
      2  -0.180358D+01 -0.121460D+01 -0.164489D+00  0.696391D+00 -0.184689D+01
      3   0.636546D+00 -0.164489D+00 -0.175254D+01  0.307462D-02  0.617631D+00
               141           142           143           144           145 
      1   0.307462D-02  0.802325D+00 -0.155523D+00 -0.480523D+00 -0.104262D+00
      2   0.617631D+00 -0.155523D+00  0.221255D+00 -0.631995D+00  0.447654D+01
      3  -0.367314D+00 -0.480523D+00 -0.631995D+00  0.374144D+00 -0.331501D+01
               146           147           148           149           150 
      1   0.447654D+01 -0.331501D+01  0.456368D+01 -0.242679D+00 -0.231421D+00
      2  -0.224932D+00 -0.196647D+00 -0.242679D+00 -0.139453D+01 -0.406905D+01
      3  -0.196647D+00 -0.224854D+00 -0.231421D+00 -0.406905D+01 -0.171940D+01
               151           152           153           154           155 
      1  -0.283789D+01 -0.668737D-01  0.521010D-01 -0.252063D+00 -0.410875D+01
      2  -0.668737D-01 -0.319552D+01 -0.172940D+01 -0.410875D+01  0.520565D+00
      3   0.521010D-01 -0.172940D+01  0.302110D+01  0.220771D+01 -0.715008D+00
               156           157           158           159           160 
      1   0.220771D+01 -0.484944D+01  0.104656D+01 -0.908268D+00  0.259790D+01
      2  -0.715008D+00  0.104656D+01  0.421053D+01  0.228529D+01 -0.905810D+00
      3   0.274707D+01 -0.908268D+00  0.228529D+01 -0.795077D+00  0.391182D+01
               161           162           163           164           165 
      1  -0.905810D+00  0.391182D+01 -0.372549D+00 -0.495693D+01  0.163141D+01
      2   0.236068D+01 -0.624102D+00 -0.495693D+01  0.341809D+00 -0.101646D+01
      3  -0.624102D+00 -0.448582D+01  0.163141D+01 -0.101646D+01  0.234050D+01
               166           167           168           169           170 
      1  -0.445600D+01 -0.131612D+00 -0.110055D+01  0.189019D+01 -0.117262D+01
      2  -0.131612D+00  0.250955D+01  0.287011D+01 -0.117262D+01  0.306606D+01
      3  -0.110055D+01  0.287011D+01 -0.284048D+00  0.293689D+01 -0.128372D+01
               171           172           173           174           175 
      1   0.293689D+01  0.448049D+01 -0.232568D+01  0.241758D+01 -0.248079D+01
      2  -0.128372D+01 -0.232568D+01  0.202707D+01 -0.142261D+01  0.165576D+01
      3  -0.528497D+01  0.241758D+01 -0.142261D+01  0.302330D+01 -0.114073D+01
               176           177           178           179           180 
      1   0.165576D+01 -0.114073D+01  0.129339D+01 -0.668338D+00  0.153607D+01
      2  -0.223201D+01  0.196063D+01 -0.668338D+00  0.103907D+01 -0.953444D+00
      3   0.196063D+01 -0.181797D+01  0.153607D+01 -0.953444D+00  0.170506D+01
               181           182           183           184           185 
      1  -0.404066D+01 -0.220902D+01  0.229040D+01 -0.234758D+01 -0.153212D+01
      2  -0.220902D+01 -0.189379D+01  0.136417D+01 -0.153212D+01 -0.211506D+01
      3   0.229040D+01  0.136417D+01 -0.297934D+01  0.109446D+01  0.185592D+01
               186           187           188           189           190 
      1   0.109446D+01  0.152056D+01  0.722465D+00 -0.155299D+01  0.174180D+00
      2   0.185592D+01  0.722465D+00  0.106150D+01 -0.911634D+00  0.183941D+00
      3  -0.189008D+01 -0.155299D+01 -0.911634D+00  0.185619D+01  0.100342D+01
               191           192           193           194           195 
      1   0.183941D+00  0.100342D+01  0.703986D+00  0.511655D-01  0.180377D+00
      2   0.621295D-01  0.123711D+00  0.511655D-01  0.392682D+01  0.270261D+01
      3   0.123711D+00  0.281211D+00  0.180377D+00  0.270261D+01  0.434517D+01
               196           197           198           199           200 
      1   0.810691D+00  0.823424D-01  0.812311D-01 -0.214852D-02 -0.909184D+00
      2   0.823424D-01  0.191582D+01  0.214161D+01 -0.909184D+00 -0.995353D+00
      3   0.812311D-01  0.214161D+01  0.386867D+01 -0.841150D+00 -0.577621D-02
               201           202           203           204           205 
      1  -0.841150D+00 -0.242968D+01 -0.170127D+01  0.132267D+00 -0.151534D+01
      2  -0.577621D-02 -0.170127D+01 -0.590212D+01 -0.107003D+01 -0.419886D-01
      3  -0.680938D-01  0.132267D+00 -0.107003D+01 -0.113872D+01 -0.135134D+00
               206           207           208           209           210 
      1  -0.419886D-01 -0.135134D+00 -0.704348D+01  0.188654D+01 -0.200487D+01
      2  -0.117093D+01 -0.880567D+00  0.188654D+01 -0.121767D+01  0.520641D+00
      3  -0.880567D+00 -0.522178D+00 -0.200487D+01  0.520641D+00 -0.155315D+01
               211           212           213           214           215 
      1   0.398045D+01 -0.177593D+01  0.907330D+00 -0.404665D+01  0.951139D+00
      2  -0.177593D+01  0.120390D+01 -0.864084D+00  0.951139D+00 -0.115212D+01
      3   0.907330D+00 -0.864084D+00  0.101605D+01 -0.234050D+01  0.703963D+00
               216           217           218           219           220 
      1  -0.234050D+01 -0.234023D+01  0.276504D+00  0.156024D+01  0.835715D+00
      2   0.703963D+00  0.276504D+00 -0.373880D+00  0.132779D+00 -0.668363D+00
      3  -0.128440D+01  0.156024D+01  0.132779D+00 -0.185830D+01 -0.666756D-01
               221           222           223           224           225 
      1  -0.668363D+00 -0.666756D-01  0.362002D+01  0.261838D+00 -0.353316D+01
      2  -0.267252D+00  0.597947D+00  0.261838D+00  0.871354D+00 -0.286169D-01
      3   0.597947D+00  0.335455D+00 -0.353316D+01 -0.286169D-01  0.645735D+01
               226           227           228           229           230 
      1   0.500778D+01  0.152503D+01 -0.513309D+00  0.131971D+01  0.194265D+01
      2   0.152503D+01  0.317971D+01  0.405382D+00  0.194265D+01  0.326124D+01
      3  -0.513309D+00  0.405382D+00  0.690269D+00  0.873241D-01 -0.158280D+00
               231           232           233           234           235 
      1   0.873241D-01 -0.495287D+00  0.170096D+00  0.308516D+00 -0.119717D+01
      2  -0.158280D+00  0.170096D+00 -0.705098D+00  0.572821D+00  0.101886D+01
      3   0.608073D+00  0.308516D+00  0.572821D+00  0.357488D+00  0.107294D+01
               236           237           238           239           240 
      1   0.101886D+01  0.107294D+01  0.434265D+00 -0.339226D+00  0.244461D-01
      2  -0.676755D+00 -0.332805D+00 -0.339226D+00  0.392656D+00  0.692990D+00
      3  -0.332805D+00 -0.156740D+01  0.244461D-01  0.692990D+00  0.547275D+00
               241           242           243           244           245 
      1   0.163037D+01 -0.787922D+00 -0.219849D+01 -0.480572D+01  0.362394D+01
      2  -0.787922D+00  0.210989D+01  0.221992D+01  0.362394D+01 -0.361095D+01
      3  -0.219849D+01  0.221992D+01  0.727851D+01 -0.115566D+01  0.754995D+00
               246           247           248           249           250 
      1  -0.115566D+01  0.262495D+01 -0.251361D+01  0.679008D+00 -0.227515D+01
      2   0.754995D+00 -0.251361D+01  0.367272D+01 -0.112367D+01  0.166985D+01
      3  -0.133398D+01  0.679008D+00 -0.112367D+01  0.711545D+00 -0.145451D+01
               251           252           253           254           255 
      1   0.166985D+01 -0.145451D+01  0.363182D+01  0.206952D+01 -0.424638D+00
      2  -0.259048D+01  0.126527D+01  0.206952D+01  0.803626D+00 -0.109185D+00
      3   0.126527D+01 -0.793726D+00 -0.424638D+00 -0.109185D+00  0.752031D+00
               256           257           258           259           260 
      1  -0.824962D+00 -0.231730D+01 -0.967332D-01 -0.183270D+00  0.235548D+00
      2  -0.231730D+01 -0.488082D+01  0.299412D+00  0.235548D+00  0.418565D+00
      3  -0.967332D-01  0.299412D+00 -0.444754D+00  0.918080D+00 -0.850918D+00
               261           262           263           264           265 
      1   0.918080D+00 -0.173542D+01 -0.444865D+01  0.382009D+00 -0.600817D+01
      2  -0.850918D+00 -0.444865D+01  0.239663D+00  0.191172D+00 -0.103296D+01
      3   0.417840D+00  0.382009D+00  0.191172D+00  0.378930D+00  0.182005D+00
               266           267           268           269           270 
      1  -0.103296D+01  0.182005D+00  0.651838D+00  0.204825D+00 -0.992370D+00
      2   0.284935D+01  0.412356D+00  0.204825D+00  0.595354D+00  0.455393D+01
      3   0.412356D+00  0.389645D+01 -0.992370D+00  0.455393D+01 -0.104234D+01
               271           272           273           274           275 
      1   0.143910D+01  0.225626D+01 -0.242074D+00  0.810632D+01  0.347329D+01
      2   0.225626D+01  0.122169D+01  0.166361D-01  0.347329D+01  0.102209D+02
      3  -0.242074D+00  0.166361D-01  0.673873D-01  0.815700D-01 -0.483204D+00
               276           277           278           279           280 
      1   0.815700D-01 -0.558772D+00 -0.153836D+00  0.110291D+01  0.883557D+00
      2  -0.483204D+00 -0.153836D+00 -0.619235D+00  0.243047D+01 -0.846714D-01
      3   0.186372D+01  0.110291D+01  0.243047D+01 -0.626248D+00  0.777474D+00
               281           282           283           284           285 
      1  -0.846714D-01  0.777474D+00 -0.149211D+01  0.137343D+01 -0.590285D+00
      2  -0.327469D-01 -0.962908D-01  0.137343D+01 -0.343776D+01  0.183565D+01
      3  -0.962908D-01  0.145517D+00 -0.590285D+00  0.183565D+01 -0.259686D+01
               286           287           288           289           290 
      1   0.263694D+01 -0.113235D+01  0.153418D+01  0.906139D+01  0.177788D+01
      2  -0.113235D+01  0.263650D+01 -0.287280D+01  0.177788D+01  0.142022D+01
      3   0.153418D+01 -0.287280D+01  0.485732D+01 -0.217249D+00 -0.579701D-01
               291           292           293           294           295 
      1  -0.217249D+00  0.443365D+01  0.152347D+01 -0.743836D-01 -0.534962D+00
      2  -0.579701D-01  0.152347D+01  0.132809D+01 -0.116301D+00 -0.525140D-01
      3   0.111878D+01 -0.743836D-01 -0.116301D+00  0.356836D+00  0.114729D+01
               296           297           298           299           300 
      1  -0.525140D-01  0.114729D+01  0.696899D+00 -0.149236D+00 -0.679291D+00
      2  -0.177268D+00 -0.127049D+00 -0.149236D+00 -0.158190D+00  0.111831D-01
      3  -0.127049D+00 -0.629747D-01 -0.679291D+00  0.111831D-01 -0.132388D-01
               301           302           303           304           305 
      1  -0.176072D+01  0.149717D+01  0.402898D+00 -0.236009D+01  0.997842D+00
      2   0.149717D+01 -0.444447D+01 -0.201985D+01  0.997842D+00 -0.294039D+01
      3   0.402898D+00 -0.201985D+01 -0.257682D+01  0.113529D+01 -0.280126D+01
               306 
      1   0.113529D+01
      2  -0.280126D+01
      3  -0.348563D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.261401D+01 -0.133129D+01 -0.682610D+01 -0.147377D+01  0.100384D+02
      2   0.150831D+01  0.776529D+01  0.171157D+02  0.602758D+01  0.172925D+01
      3   0.232665D+00 -0.628625D+01 -0.592519D+01 -0.185257D+01 -0.790811D+01
                 6             7             8             9            10 
      1   0.326151D+01 -0.634337D+01  0.806968D+01 -0.821944D+01 -0.965590D+00
      2  -0.193593D+01  0.885591D+01 -0.363334D+01 -0.973391D+01  0.182343D+01
      3  -0.511462D-01 -0.343415D+01 -0.523617D+00  0.988776D+01  0.488293D+01
                11            12            13            14            15 
      1  -0.448781D+01  0.541764D+01 -0.476727D+01 -0.771945D+01 -0.994409D+01
      2  -0.614526D+00  0.253850D+01 -0.314256D+00  0.195404D+01  0.228836D+01
      3  -0.118813D+02  0.126597D+01 -0.761969D+01 -0.109715D+01  0.272511D+01
                16            17            18            19            20 
      1   0.387147D+01 -0.263453D+01  0.690648D+01  0.655716D+01  0.334409D+00
      2  -0.193078D+01  0.132382D+01 -0.598212D+00 -0.649960D+01 -0.347241D+01
      3  -0.140471D+00  0.222985D+01 -0.536608D+01 -0.777867D+01 -0.423817D+01
                21            22            23            24            25 
      1   0.608992D+00  0.167883D+01 -0.964489D+01 -0.511871D+01  0.137274D+00
      2  -0.428389D+01 -0.406687D+01 -0.283047D+01  0.149379D+01 -0.131749D+02
      3  -0.280867D+01  0.227608D+01  0.631877D+01  0.164476D+01 -0.225284D+01
                26            27            28            29            30 
      1   0.129469D+01  0.671708D+01 -0.777398D+01 -0.100048D+00  0.415022D+01
      2   0.308663D+01  0.121888D+02  0.458905D+01  0.380932D+01  0.468100D+01
      3   0.100389D+01 -0.299622D+01  0.275709D+01  0.186811D+01  0.412883D+01
                31            32            33            34            35 
      1  -0.614578D+00  0.955221D+01 -0.780259D+01  0.545298D+01 -0.105981D+01
      2   0.694444D+01 -0.119877D+01 -0.485780D+00 -0.895406D+00 -0.111073D+00
      3   0.802028D+01  0.295752D+01 -0.139982D+01  0.396783D+01 -0.524754D+00
                36            37            38            39            40 
      1  -0.139893D+01  0.965622D+00  0.897671D+00 -0.192192D+01 -0.885945D+00
      2  -0.682656D+01  0.468131D+01 -0.250227D+01  0.119239D+01 -0.418302D+01
      3  -0.382804D+01 -0.347527D+01  0.417016D+01  0.810635D+00  0.697541D+01
                41            42            43            44            45 
      1   0.126534D+01 -0.194853D+01 -0.455681D+01  0.136280D+01 -0.417729D+01
      2  -0.139921D+01 -0.174501D+01 -0.445028D+01 -0.213794D+01  0.176855D+01
      3   0.669840D+00  0.131785D+01 -0.769340D+00 -0.533996D-01  0.123365D+01
                46            47            48            49            50 
      1  -0.267666D+01  0.470000D+00 -0.327141D+00  0.180934D+01  0.385307D+01
      2  -0.205182D+01  0.403009D+01  0.282933D+00  0.397944D+01 -0.331600D+01
      3  -0.277322D+01  0.679669D+00 -0.174432D+01  0.773894D+01 -0.151636D+01
                51            52            53            54            55 
      1   0.180950D+01  0.297527D+00  0.954856D+01  0.734403D+00  0.249535D+01
      2  -0.312393D+00 -0.893102D+01 -0.422732D+00  0.194955D+01 -0.103813D+02
      3   0.179423D+01 -0.192625D+01  0.378459D+01  0.135012D+01  0.699778D+01
                56            57            58            59            60 
      1   0.454462D+01 -0.168091D+01  0.269431D+01  0.226735D+01 -0.132577D+01
      2  -0.309218D+01  0.342630D+00 -0.368588D+01 -0.249894D+01  0.469030D+00
      3  -0.190277D+01  0.138634D+01  0.235929D+01 -0.863089D+00 -0.639734D-01
                61            62            63            64            65 
      1  -0.596960D+00  0.117619D+01  0.335958D+00 -0.782440D+00 -0.276276D+01
      2  -0.180365D+01 -0.572149D-01  0.374346D+00  0.892324D+01 -0.421018D+01
      3   0.940102D+00 -0.602027D+00  0.259440D+00 -0.575941D+01  0.198498D+01
                66            67            68            69            70 
      1   0.407681D+01 -0.609538D+00 -0.102430D+00 -0.121259D+01  0.232272D+01
      2  -0.880577D+01 -0.253126D+01  0.346759D+01  0.280860D+01 -0.934417D+01
      3   0.543069D+01  0.321665D+01 -0.187596D+01 -0.297965D+01  0.451216D+01
                71            72            73            74            75 
      1   0.293212D+01 -0.480524D+01  0.988436D+00  0.266163D+00  0.373846D+01
      2   0.429037D+01  0.123084D+02  0.537067D+00 -0.191780D+00  0.109069D+01
      3  -0.244439D+01 -0.692099D+01 -0.145280D+02  0.860206D+01 -0.710964D+00
                76            77            78            79            80 
      1  -0.349984D+00  0.106196D+01 -0.212714D+01  0.122029D+01  0.318918D+00
      2  -0.337610D+00  0.179013D+00 -0.104284D+01 -0.175113D+01  0.321648D+00
      3   0.114870D+02 -0.492213D+01 -0.185125D+00  0.665085D+00 -0.455807D+00
                81            82            83            84            85 
      1  -0.471476D+00  0.201187D+01  0.203711D+01 -0.498203D+01  0.184958D+01
      2  -0.162435D+00 -0.180756D+00 -0.575575D+00  0.216399D+01  0.160383D+00
      3  -0.161729D+01  0.930982D+01 -0.694607D+00 -0.167418D+01  0.360826D+01
                86            87            88            89            90 
      1   0.367780D+01 -0.464342D+01 -0.225543D+01 -0.100323D+01  0.427780D+01
      2  -0.791516D+00  0.187360D+01 -0.634969D+00  0.108544D+01 -0.124561D+01
      3   0.519695D+00 -0.673742D+00 -0.251897D+01 -0.960725D-01  0.125256D+01
                91            92            93            94            95 
      1   0.211892D+01 -0.295276D+00  0.152645D+01  0.268289D+00  0.954420D+00
      2   0.317421D+01 -0.232041D+01  0.129096D+02 -0.329266D+01  0.709189D+01
      3   0.143970D+02 -0.309711D+01  0.785031D+00  0.800857D+01 -0.100474D+02
                96            97            98            99           100 
      1  -0.486811D+01  0.152188D+01  0.223629D+01 -0.425113D+01 -0.211401D+01
      2  -0.184744D+01  0.487980D+01 -0.153979D+01 -0.121580D+02 -0.258887D+01
      3  -0.717053D+01  0.101183D+01 -0.627535D+01 -0.292083D+00  0.618240D+00
               101           102           103           104           105 
      1   0.328430D+01  0.132940D+00  0.171541D+01 -0.318445D+01  0.991303D+00
      2   0.115191D+01  0.280401D+01  0.250249D+01  0.111582D+01 -0.246272D+01
      3  -0.311313D+01  0.800677D+00  0.356238D+00  0.282399D+01 -0.296085D+01
               106           107           108           109           110 
      1  -0.497918D+00  0.505974D+01 -0.873479D+00 -0.160103D+01 -0.577670D+00
      2  -0.212360D+01 -0.138163D+01  0.404141D+01 -0.234540D+00  0.134544D+01
      3  -0.582716D+00 -0.323880D+01  0.202258D+01  0.524681D+00  0.360132D+00
               111           112           113           114           115 
      1  -0.318622D+00 -0.104635D+01 -0.124853D+02 -0.159340D+01  0.413638D-01
      2   0.819264D-01  0.302866D+01  0.252158D+01  0.402140D+00 -0.158285D+01
      3  -0.224317D+00  0.566080D+01 -0.157661D+01 -0.229401D+00 -0.440714D+00
               116           117           118           119           120 
      1   0.817902D+00 -0.989511D+00  0.389627D+01 -0.225014D+01 -0.335371D+01
      2  -0.948478D-01  0.114172D+01  0.743726D+01 -0.894133D+00 -0.993912D+00
      3  -0.411496D+00  0.361318D+00  0.414713D+01 -0.241079D+01 -0.333782D+01
               121           122           123           124           125 
      1  -0.174415D+01  0.194056D+01  0.279726D+01 -0.263586D+01  0.437635D+01
      2  -0.436732D+01  0.956827D+00  0.160609D+00 -0.620084D+01 -0.289006D+00
      3  -0.835879D+00  0.164390D+01  0.131276D+01 -0.333318D+01  0.163320D+01
               126           127           128           129           130 
      1   0.573377D+01  0.717736D+00 -0.183406D-01 -0.784810D+00  0.175558D+00
      2   0.284926D+01  0.338159D+00  0.816053D-01  0.508267D+00 -0.172097D+01
      3   0.366206D+01 -0.284786D+00  0.106187D+01  0.457619D+00  0.700702D+01
               131           132           133           134           135 
      1   0.625080D+00 -0.240868D+01  0.663557D+00  0.113466D+01 -0.190151D+01
      2   0.192283D+01  0.201581D+01 -0.332266D+01  0.967355D+00  0.249714D+01
      3  -0.239364D+01 -0.115425D+01  0.192369D+01 -0.106180D+01 -0.209825D+00
               136           137           138           139           140 
      1  -0.236108D+00  0.184201D+00 -0.364320D+00  0.296264D+00 -0.152752D+01
      2  -0.641473D+00 -0.855540D+00  0.745800D+01  0.195143D+01  0.608358D+00
      3   0.107682D+02 -0.961002D+01  0.153915D+01  0.967251D+01  0.426707D+01
               141           142           143           144           145 
      1  -0.336691D+01  0.583028D+00  0.125134D+01  0.349206D+00  0.964503D+01
      2  -0.139952D+01 -0.781794D+01 -0.248332D+01  0.616659D+00  0.181082D+01
      3  -0.804618D+00 -0.481224D+00  0.113561D+00  0.192633D+01  0.285880D+01
               146           147           148           149           150 
      1  -0.177076D+00 -0.697681D-01 -0.613658D+00 -0.776756D+01 -0.177073D+02
      2  -0.127293D+02  0.146447D+02 -0.119824D+02  0.258251D+01  0.805344D+00
      3  -0.609696D+01  0.358233D+01 -0.235901D+01 -0.357097D+00 -0.183246D+01
               151           152           153           154           155 
      1  -0.654407D+00 -0.954739D+01 -0.311043D+01 -0.987374D+00  0.603786D-01
      2   0.599263D+01  0.155400D+01 -0.216181D+01 -0.889056D+01  0.402272D+01
      3   0.215036D+01 -0.194767D+01 -0.111540D+01 -0.163535D+02  0.206776D+01
               156           157           158           159           160 
      1   0.343247D+00  0.644666D+00  0.286732D+01 -0.789722D+00  0.112437D+01
      2  -0.995314D+01  0.519416D+01 -0.977973D+01  0.272941D+01 -0.203488D+02
      3  -0.310038D+01  0.918970D+01  0.191377D+02  0.919927D+01 -0.436979D+01
               161           162           163           164           165 
      1   0.300087D+01 -0.827694D+00 -0.836718D+01  0.255162D+01 -0.613478D+01
      2   0.188725D+01  0.171456D+02 -0.313985D+01  0.714506D+01 -0.443978D+01
      3   0.951406D+01 -0.218202D+01 -0.135577D+02 -0.156481D+02  0.967549D+00
               166           167           168           169           170 
      1   0.224366D+01 -0.643999D+01  0.137587D+01 -0.848183D+01  0.942381D+01
      2   0.626021D+01 -0.602041D+01  0.143077D+01 -0.102265D+02  0.415477D+01
      3  -0.102781D+02  0.384253D+01  0.407579D+01  0.159343D+01  0.406529D+01
               171           172           173           174           175 
      1   0.137882D+02 -0.474843D+01  0.543314D+01 -0.962050D-01  0.366398D+01
      2   0.109308D+02 -0.153985D+02  0.709019D+01 -0.585216D+01  0.833493D+01
      3   0.309998D+01 -0.695607D+01  0.150799D+01 -0.279835D+01  0.482091D+01
               176           177           178           179           180 
      1  -0.460550D+01  0.172197D+01 -0.820619D+00  0.330921D+01 -0.880741D+00
      2  -0.560052D+01  0.325123D+01 -0.592512D+01  0.285914D+01 -0.446926D+01
      3  -0.188505D+01  0.206151D+01 -0.176088D+01  0.589555D+00 -0.200600D+01
               181           182           183           184           185 
      1  -0.423640D+01 -0.530520D+01 -0.123515D+00 -0.332104D+01 -0.415242D+01
      2   0.114394D+02  0.481441D+01 -0.129916D+01  0.644453D+01  0.265451D+01
      3   0.330730D+01 -0.127360D+01 -0.611792D+00  0.234521D+01 -0.106046D+01
               186           187           188           189           190 
      1   0.150078D+01  0.876051D+00  0.345715D+01 -0.104731D+01  0.117134D+01
      2  -0.619287D+00 -0.421742D+01 -0.150566D+01  0.207701D+01 -0.866616D+00
      3   0.465960D+00 -0.865624D+00  0.736444D+00  0.657973D+00  0.221880D+00
               191           192           193           194           195 
      1  -0.232326D+00  0.376788D+00 -0.125325D+00  0.159143D+02  0.841329D+01
      2  -0.625143D+00 -0.180641D+01 -0.374767D+01 -0.137790D+01 -0.271455D+01
      3  -0.577395D+00 -0.531647D+00  0.169688D+01  0.194972D+01  0.152181D+01
               196           197           198           199           200 
      1   0.304892D+00  0.909733D+01  0.804184D+01 -0.122697D+01 -0.477959D-01
      2  -0.380879D+01 -0.152601D+01 -0.279925D+01  0.376577D+01  0.170453D+00
      3   0.275382D+00  0.122439D+01  0.118446D+01 -0.447552D+01 -0.326712D+01
               201           202           203           204           205 
      1   0.161794D+00  0.730803D-01 -0.281140D+01 -0.378882D+01  0.878669D+00
      2   0.225998D-01 -0.613729D+00  0.506891D+01  0.578183D+01 -0.170215D+01
      3   0.110879D+01 -0.772805D+00 -0.252446D+02 -0.548103D+01  0.215600D+01
               206           207           208           209           210 
      1  -0.520530D+00 -0.157868D+01  0.899881D-01  0.530830D+00  0.339548D+00
      2   0.401054D+01  0.350080D+01  0.896398D+01 -0.280305D+01  0.904301D+01
      3  -0.576933D+01 -0.447455D+01  0.801313D+01 -0.773321D+01  0.284736D+01
               211           212           213           214           215 
      1  -0.273859D+00 -0.480695D+00 -0.103678D+01 -0.114379D+00  0.110626D+01
      2  -0.401744D+01  0.380869D+01 -0.532061D+01  0.795331D+01 -0.291134D+01
      3  -0.508581D+01  0.553348D+01 -0.341263D+01  0.376313D+01 -0.600477D+01
               216           217           218           219           220 
      1   0.396660D+00  0.531243D+00 -0.806873D+00 -0.717981D+00 -0.158938D+00
      2   0.640279D+01 -0.449169D+01 -0.582060D+00  0.776523D+01 -0.331528D+00
      3   0.298820D+01  0.152244D+01 -0.248253D+01 -0.396907D-01 -0.133342D+01
               221           222           223           224           225 
      1   0.783461D-01 -0.549594D+00 -0.533524D+00  0.308832D+01  0.179604D+01
      2  -0.180095D+01 -0.114236D+01  0.857706D+01 -0.315846D-01 -0.255282D+02
      3  -0.104349D+01  0.178563D+01  0.561355D+00  0.473943D+01  0.201138D+00
               226           227           228           229           230 
      1   0.329630D+01  0.126963D+01 -0.336787D+01  0.176266D+01  0.267608D+01
      2  -0.386749D+01 -0.186969D+01  0.542855D+00 -0.128167D+01 -0.126213D+01
      3   0.216680D+02  0.846822D+01 -0.146459D+01  0.942196D+01  0.107693D+02
               231           232           233           234           235 
      1  -0.304021D+01 -0.150151D+01 -0.618521D+00  0.173252D-01 -0.150441D+01
      2  -0.204931D+00 -0.119255D+01 -0.994357D+00 -0.780033D+00 -0.104015D+01
      3  -0.416827D+00 -0.167187D+01 -0.930900D+00  0.221592D+01  0.239910D-01
               236           237           238           239           240 
      1  -0.293493D+00  0.366921D+01  0.518316D-01 -0.143522D+01 -0.178591D+01
      2   0.804469D-01  0.363310D+01 -0.603665D+00 -0.137119D+01 -0.943954D+00
      3  -0.395102D+00  0.127951D+01  0.120254D+01  0.907939D-03  0.116880D+01
               241           242           243           244           245 
      1   0.441211D+01  0.155419D+00 -0.172731D+02  0.537906D+01 -0.365230D+01
      2   0.642919D+00 -0.416342D+01 -0.154503D+02  0.490829D+01 -0.382168D+01
      3   0.275676D+01  0.402429D+01  0.373378D+00 -0.371904D+01 -0.250748D+01
               246           247           248           249           250 
      1   0.530343D+01 -0.347465D+01  0.468076D+01 -0.425086D+01  0.419102D+01
      2   0.566763D+01 -0.303443D+01  0.408120D+01 -0.303933D+01  0.336789D+01
      3  -0.126785D+01  0.274996D+01  0.315698D+01 -0.623691D+00 -0.238181D+01
               251           252           253           254           255 
      1  -0.301294D+01  0.330961D+01 -0.193723D+00 -0.185012D+00 -0.127656D+01
      2  -0.357307D+01  0.331296D+01 -0.292491D+01 -0.105493D+01 -0.109089D+02
      3  -0.319910D+01 -0.321304D+00 -0.114130D+02  0.162370D+01  0.703180D+00
               256           257           258           259           260 
      1   0.390555D+00  0.149352D+01  0.704144D+01  0.452029D+00  0.967317D+01
      2  -0.199829D+01  0.196814D+01 -0.720448D+01 -0.193653D+02 -0.134123D+01
      3   0.284805D+01  0.213787D+02 -0.161035D+01  0.197622D+01 -0.226858D+01
               261           262           263           264           265 
      1  -0.175279D+01 -0.170571D+00  0.407936D+00  0.161883D+01  0.699588D-01
      2   0.177069D+01  0.174315D+01  0.157396D+01  0.575530D+01  0.194855D+01
      3   0.290299D+01  0.213384D+02 -0.116371D+01 -0.119901D+01  0.133866D+02
               266           267           268           269           270 
      1   0.852144D+00  0.208797D+01 -0.316107D+01  0.740838D+01 -0.606950D+00
      2   0.190456D+01  0.170065D+02 -0.795519D+01  0.220176D+02 -0.483342D+01
      3  -0.118982D+02 -0.197144D+01 -0.128569D+01 -0.293388D+01 -0.202680D+02
               271           272           273           274           275 
      1   0.536788D+00  0.377253D+00  0.845573D+00  0.216933D+00 -0.246542D-01
      2  -0.966053D+00 -0.378128D-01  0.635414D+01  0.504774D+00 -0.241945D+01
      3  -0.801367D+01 -0.687388D+01 -0.380558D+00  0.236534D+01 -0.369613D+02
               276           277           278           279           280 
      1  -0.957665D+01 -0.110216D+00  0.273532D+00  0.107769D+01  0.446614D+00
      2   0.107983D+02  0.478465D+01  0.771938D+01 -0.302145D+01  0.315726D+01
      3   0.195522D+01 -0.926225D+00  0.253770D+01 -0.778950D+01  0.601285D-01
               281           282           283           284           285 
      1  -0.133987D+00 -0.597517D-01 -0.637355D+00  0.881106D+00 -0.352769D+01
      2  -0.326279D+00  0.743887D+00 -0.198575D+01  0.825238D+01 -0.115099D+02
      3  -0.572809D+00 -0.370681D+00 -0.318091D+01  0.138180D+02 -0.759428D+01
               286           287           288           289           290 
      1   0.112109D+01 -0.740684D+00  0.479834D+01 -0.989560D-01  0.110773D-01
      2   0.439625D+01 -0.127300D+02  0.213735D+02 -0.194193D+01 -0.531694D+00
      3   0.176150D+01 -0.109234D+02  0.119131D+02 -0.140357D+02 -0.100749D+02
               291           292           293           294           295 
      1   0.321360D+00  0.609776D-01 -0.380975D-01 -0.807095D+00  0.709507D+00
      2   0.706448D+01 -0.754472D+00 -0.688961D+00  0.215949D+01  0.367725D+01
      3   0.504654D+00 -0.775026D+01 -0.752865D+01  0.582041D+00  0.536853D+00
               296           297           298           299           300 
      1   0.449064D+00 -0.149055D-01 -0.549887D+00 -0.294116D-02 -0.225313D+00
      2  -0.658703D+00 -0.463029D+00 -0.307172D+01 -0.191750D+00  0.311741D+00
      3   0.940884D+00  0.832755D-01  0.546192D+00  0.161763D+00  0.811769D+00
               301           302           303           304           305 
      1   0.807686D+00 -0.203868D+01 -0.415551D+01  0.100991D+01 -0.153961D+01
      2   0.156933D+01 -0.951193D+01 -0.115438D+02  0.343118D+01 -0.126210D+02
      3  -0.319862D+01  0.183205D+02  0.863147D+01 -0.140993D+01  0.125280D+02
               306 
      1  -0.431983D+01
      2  -0.156450D+02
      3   0.118110D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.473906D+00 -0.111379D+02 -0.204956D+02 -0.799776D+01 -0.106592D+02
      2   0.693545D+01  0.399421D+01 -0.410145D+01  0.391388D+01  0.111891D+02
      3  -0.646155D+01  0.714369D+01  0.245970D+02  0.408389D+01 -0.529896D+00
      4  -0.159511D+02 -0.997951D+01 -0.131022D+02 -0.896126D+01  0.596665D+01
      5  -0.173362D+02 -0.149261D+02 -0.904210D+01 -0.115097D+02 -0.110758D+01
      6  -0.218791D+02 -0.682621D+01  0.564712D+01 -0.506921D+01  0.859532D+01
                 6             7             8             9            10 
      1   0.179836D+01 -0.149365D+02  0.297567D+01  0.155360D+02  0.726541D+01
      2   0.807323D+01 -0.319655D+01  0.690800D+01 -0.739529D+01 -0.190005D+02
      3  -0.987159D+01  0.181331D+02 -0.988368D+01 -0.814070D+01  0.117350D+02
      4  -0.796240D+00 -0.721827D+01  0.228302D+00  0.823189D-01  0.109956D+01
      5  -0.635996D+01 -0.167467D+01 -0.508299D+01  0.112071D+02  0.424021D+01
      6  -0.521723D+01  0.509995D+01 -0.737849D+01 -0.869699D+01  0.540607D+01
                11            12            13            14            15 
      1   0.112461D+01  0.343059D+00 -0.308874D+00 -0.170211D+01 -0.501339D+01
      2  -0.388670D+01  0.863624D+01 -0.268281D+01 -0.153181D+01  0.115208D+02
      3   0.276208D+01 -0.897930D+01  0.299168D+01  0.323393D+01 -0.650740D+01
      4  -0.178917D+02  0.626426D+01 -0.131086D+02 -0.206685D+01  0.990515D+01
      5   0.511930D+01 -0.418641D+01  0.439981D+01  0.772793D+01  0.407006D+01
      6   0.796489D+01 -0.637126D+01  0.618614D+01  0.100513D+02  0.223405D+01
                16            17            18            19            20 
      1  -0.208446D+01 -0.610342D+01 -0.424477D+01  0.989973D-01  0.546834D+01
      2   0.857076D+01  0.145834D+02  0.104141D+02 -0.382283D+00 -0.567765D+01
      3  -0.648630D+01 -0.847994D+01 -0.616937D+01  0.283286D+00  0.209313D+00
      4   0.359308D+01  0.104230D+02 -0.364228D+01  0.906307D+01 -0.404269D+01
      5  -0.425168D+01  0.517044D+00 -0.544585D+01 -0.395033D+00  0.112896D+02
      6  -0.525021D+01  0.165324D+01 -0.381541D+01  0.115256D+02  0.470054D+00
                21            22            23            24            25 
      1   0.692366D+01  0.542936D+01  0.470734D+01 -0.738310D+00  0.104824D+02
      2   0.104996D+02 -0.633365D+01  0.334323D+00 -0.895626D+01  0.552825D+01
      3  -0.174232D+02  0.904286D+00 -0.504166D+01  0.969457D+01 -0.160106D+02
      4   0.800675D+01 -0.415586D+01 -0.746679D+01 -0.959867D+01  0.659226D+01
      5  -0.151644D+02  0.104334D+02 -0.101943D+02  0.118345D+02 -0.193775D+02
      6   0.973765D+01 -0.269534D+01 -0.911114D+01 -0.828328D+01  0.834062D+01
                26            27            28            29            30 
      1  -0.140206D+01 -0.169898D+02 -0.564939D+00  0.157154D+01 -0.901558D+01
      2  -0.617523D+01  0.948830D+01  0.827993D+01 -0.283708D+01 -0.695853D+01
      3   0.757729D+01  0.750147D+01 -0.771499D+01  0.126554D+01  0.159741D+02
      4  -0.544948D+01  0.139799D+02  0.194190D+01  0.163264D+01 -0.548761D+00
      5   0.134642D+02 -0.791826D+01 -0.124796D+01 -0.438403D+01 -0.703802D+01
      6  -0.474775D+01  0.893922D+01 -0.752960D+01  0.921355D-01 -0.284322D+01
                31            32            33            34            35 
      1   0.605784D+00  0.129079D+02  0.209571D+01 -0.107401D+02  0.284150D+01
      2  -0.399153D+01 -0.195866D+02  0.106819D+02 -0.494363D+01  0.456806D+01
      3   0.338574D+01  0.667869D+01 -0.127776D+02  0.156837D+02 -0.740956D+01
      4   0.231726D+01  0.472406D+00  0.157737D+01 -0.177724D+01 -0.112901D+00
      5  -0.572337D+01  0.594659D+01  0.235020D+01 -0.292637D+01 -0.202620D+00
      6   0.253093D+01  0.184478D+02 -0.123043D+01 -0.425143D+01  0.153098D+01
                36            37            38            39            40 
      1  -0.293754D+01 -0.356369D+02  0.299020D+01  0.875788D+00  0.122285D+02
      2   0.418430D+01  0.180965D+02 -0.298437D+01  0.229798D+00 -0.428486D+01
      3  -0.124676D+01  0.175404D+02 -0.582798D-02 -0.110559D+01 -0.794360D+01
      4  -0.323071D+01 -0.252829D+01 -0.979748D+01  0.143130D+01 -0.312280D+01
      5   0.921785D+01  0.241082D+00  0.234399D+01 -0.866714D+01  0.359147D+01
      6  -0.745774D+01  0.436980D+01 -0.134189D+01 -0.641499D+00 -0.216508D+01
                41            42            43            44            45 
      1   0.313354D+01 -0.126290D+01  0.303114D+01 -0.269102D+01  0.835872D+01
      2  -0.212526D+00 -0.256098D+01 -0.400926D-01  0.190096D+01 -0.274433D+01
      3  -0.292101D+01  0.382388D+01 -0.299105D+01  0.790062D+00 -0.561440D+01
      4   0.633380D+00 -0.203584D+01  0.140609D+01  0.944851D-01 -0.684571D+00
      5  -0.251861D+01 -0.257607D+01 -0.337924D+01 -0.194140D+01 -0.264468D+01
      6  -0.526347D+01 -0.821032D+01  0.621175D+00 -0.590968D+01 -0.367534D+00
                46            47            48            49            50 
      1  -0.170175D+02  0.709619D+01 -0.289815D+01  0.128770D+02 -0.550878D+01
      2   0.276482D+01  0.217166D+00 -0.475431D-02 -0.560603D+01 -0.565454D+01
      3   0.142527D+02 -0.731336D+01  0.290290D+01 -0.727094D+01  0.111633D+02
      4   0.112457D+02 -0.170917D+01 -0.167501D+01 -0.601396D+00  0.891389D-01
      5  -0.330786D+01 -0.491022D+01  0.418036D+01 -0.431067D+01 -0.489117D+01
      6  -0.828270D+01  0.747429D+00  0.111752D+01  0.916195D+00 -0.644885D+01
                51            52            53            54            55 
      1   0.527580D+01 -0.677758D+01  0.788801D+01  0.120333D+00  0.207786D+02
      2  -0.963618D+01  0.136408D+01 -0.131001D+02  0.614181D+00 -0.122506D+02
      3   0.436038D+01  0.541350D+01  0.521206D+01 -0.734515D+00 -0.852801D+01
      4  -0.686924D+01  0.139175D+01 -0.972138D+01  0.949416D+00  0.254446D+02
      5  -0.187151D+00  0.198942D+01 -0.174086D+01  0.687813D+01  0.282309D+02
      6   0.513822D+01  0.316092D+00  0.158158D+01  0.411828D+01  0.167573D+02
                56            57            58            59            60 
      1   0.365011D+01  0.397496D+01  0.394090D+01  0.897711D+00 -0.130377D+01
      2   0.690249D+00 -0.620932D+01  0.938726D+00  0.388628D+01 -0.538261D+00
      3  -0.434036D+01  0.223436D+01 -0.487963D+01 -0.478399D+01  0.184203D+01
      4   0.178939D+02  0.135220D+02  0.154263D+02  0.135384D+02  0.817438D+01
      5   0.148227D+02  0.206718D+02  0.110287D+02  0.104931D+02  0.862565D+01
      6   0.141611D+02  0.125086D+02  0.102512D+02  0.110202D+02  0.103973D+02
                61            62            63            64            65 
      1   0.201125D+01 -0.112050D+01 -0.334537D+00 -0.727779D+01  0.887529D+01
      2  -0.408506D+01 -0.203381D+01 -0.502782D+01 -0.236952D+01 -0.365233D+01
      3   0.207380D+01  0.315431D+01  0.536236D+01  0.964731D+01 -0.522295D+01
      4   0.727839D+01  0.582113D+01  0.802827D+01 -0.282464D+01  0.265913D+01
      5   0.139141D+02  0.767777D+01  0.121578D+02 -0.528836D+01  0.344082D+01
      6   0.741104D+01  0.852385D+01  0.104683D+02  0.972634D+01 -0.882065D+01
                66            67            68            69            70 
      1   0.166712D+02  0.423068D+01 -0.801865D+01 -0.800321D+01  0.106567D+02
      2   0.407497D+01 -0.259279D+01  0.315082D+01  0.179870D+01  0.202791D+01
      3  -0.207462D+02 -0.163789D+01  0.486783D+01  0.620451D+01 -0.126846D+02
      4   0.477781D+01  0.296551D+01 -0.107862D+01 -0.555936D-01  0.415726D+01
      5   0.700514D+01  0.260663D+01 -0.114058D+01  0.391470D+00  0.663853D+01
      6  -0.143332D+02 -0.419942D+01  0.797390D+01  0.131217D+02 -0.712627D+01
                71            72            73            74            75 
      1  -0.106809D+02 -0.277642D+02 -0.724012D+01  0.945208D+01  0.986335D+00
      2   0.414356D+00 -0.939542D+01  0.167114D+02 -0.183356D+02 -0.725060D+00
      3   0.102665D+02  0.371596D+02 -0.947125D+01  0.888347D+01 -0.261275D+00
      4   0.339021D+00 -0.164199D+01 -0.137273D+02  0.117278D+02 -0.114514D+01
      5   0.829034D+00 -0.155754D+01 -0.207017D+01  0.740119D+00  0.117890D+01
      6   0.148254D+02  0.240662D+02 -0.832590D-01 -0.175149D+01 -0.459862D+01
                76            77            78            79            80 
      1   0.221920D+01 -0.111017D+02 -0.168124D+00  0.588955D-01 -0.231526D+00
      2  -0.938632D+01  0.207890D+02 -0.157180D+01 -0.863749D+00 -0.831229D+00
      3   0.716712D+01 -0.968728D+01  0.173992D+01  0.804854D+00  0.106276D+01
      4   0.114002D+02 -0.742814D+01 -0.649909D+00  0.745645D-01 -0.120364D+01
      5   0.553805D+00 -0.151993D+01 -0.495715D+00  0.265381D+01 -0.591056D+00
      6  -0.123312D+01  0.465030D+00  0.372381D+01 -0.324349D+01  0.519653D+01
                81            82            83            84            85 
      1  -0.206961D+01  0.872585D+01 -0.664491D+01 -0.307433D+00 -0.366712D+01
      2   0.124344D+01  0.451779D+01  0.176032D+02 -0.368560D+01  0.111580D+02
      3   0.826169D+00 -0.132436D+02 -0.109583D+02  0.399304D+01 -0.749091D+01
      4  -0.141373D+01  0.139156D+02  0.188998D+02 -0.617169D+01  0.148390D+02
      5   0.464990D+00 -0.439833D+01 -0.377756D+01  0.507918D+01 -0.259832D+01
      6   0.129921D+01 -0.435067D+01 -0.541677D+01  0.684377D+01 -0.372788D+01
                86            87            88            89            90 
      1  -0.104011D+02  0.333237D+01  0.255126D+00  0.556155D+01 -0.305702D+01
      2   0.290031D+02 -0.822966D+01 -0.358495D+01 -0.119011D+02  0.417232D+01
      3  -0.186020D+02  0.489729D+01  0.332982D+01  0.633959D+01 -0.111530D+01
      4   0.210835D+02 -0.667768D+01 -0.617813D+01 -0.862387D+01  0.689098D+01
      5  -0.520756D+01  0.378767D+01  0.442890D+01  0.438229D+01 -0.458798D+01
      6  -0.888221D+01  0.726227D+01  0.524114D+01  0.940026D+01 -0.727211D+01
                91            92            93            94            95 
      1  -0.591529D+01 -0.269691D+02  0.722788D+01 -0.313174D+02  0.944267D+01
      2   0.100064D+02  0.127177D+02 -0.268863D+01  0.154177D+02 -0.951473D+01
      3  -0.409106D+01  0.142514D+02 -0.453925D+01  0.158997D+02  0.720598D-01
      4  -0.268983D+02  0.715880D+01 -0.215311D+01  0.538190D+01  0.135212D+02
      5   0.455112D+01 -0.494614D+00  0.144799D+02 -0.170397D+01  0.973627D+01
      6   0.342437D+01 -0.259917D+00 -0.240396D+01 -0.206669D+00 -0.274104D+01
                96            97            98            99           100 
      1  -0.152615D+01  0.735298D+01  0.103512D+01  0.179066D+02  0.963162D+01
      2  -0.238669D+01 -0.190899D+01 -0.577355D+01 -0.658974D+01 -0.119856D+02
      3   0.391284D+01 -0.544399D+01  0.473843D+01 -0.113169D+02  0.235398D+01
      4   0.124082D+02 -0.326934D+01  0.127519D+02 -0.632916D+01 -0.106765D+02
      5  -0.537093D+01  0.163656D+02 -0.396052D+01 -0.166367D+02  0.205359D+02
      6  -0.727815D+00 -0.277810D+01  0.104726D+01  0.365201D+01 -0.854316D+01
               101           102           103           104           105 
      1  -0.298750D+01  0.209665D+01 -0.237730D+01 -0.324843D+01  0.380658D+01
      2   0.366627D+01 -0.113757D+02  0.325105D+01 -0.824101D+00  0.396476D+01
      3  -0.678771D+00  0.927906D+01 -0.873754D+00  0.407253D+01 -0.777134D+01
      4   0.929599D+01 -0.811772D+01  0.949028D+01 -0.933938D+01  0.977285D+01
      5  -0.101426D+02  0.236353D+02 -0.103426D+02  0.115224D+02 -0.127830D+02
      6   0.664536D+01 -0.845878D+01  0.723772D+01 -0.107607D+02  0.145564D+02
               106           107           108           109           110 
      1  -0.482672D+00  0.343332D+01 -0.788135D+01 -0.119382D+00 -0.827031D+00
      2  -0.962647D+01  0.437754D+01 -0.170858D+02  0.259518D+01  0.204172D+01
      3   0.101091D+02 -0.781086D+01  0.249671D+02 -0.247580D+01 -0.121468D+01
      4  -0.624628D+01  0.732071D+01 -0.102191D+02  0.550196D+00  0.553877D+01
      5   0.203846D+02 -0.109897D+02  0.284566D+02 -0.772306D+00 -0.212322D+01
      6  -0.740907D+01  0.117523D+02 -0.148541D+02 -0.262921D+01 -0.134839D+01
               111           112           113           114           115 
      1   0.106072D+01 -0.943751D+00 -0.253182D+02  0.968554D+01  0.248746D+01
      2   0.221012D+00  0.231964D+01  0.357244D+02 -0.735065D+01  0.701371D-01
      3  -0.128173D+01 -0.137589D+01 -0.104061D+02 -0.233488D+01 -0.255760D+01
      4  -0.112970D+01  0.581840D+01  0.153785D+01 -0.127140D+01 -0.211097D+00
      5   0.305503D+01 -0.355502D+01 -0.423058D+01  0.117757D+01  0.271598D+01
      6   0.111386D+01 -0.397365D+01 -0.270736D+02  0.131510D+02  0.161326D+01
               116           117           118           119           120 
      1   0.517891D+01 -0.513065D+01  0.206358D+01 -0.114825D+01  0.473265D+01
      2  -0.209410D+01  0.298064D+01 -0.987343D+01  0.159415D+01  0.773098D+01
      3  -0.308482D+01  0.215001D+01  0.780986D+01 -0.445894D+00 -0.124636D+02
      4  -0.319154D-01  0.320924D+00  0.162495D+01  0.157374D+01 -0.152105D+01
      5   0.703218D+00 -0.176824D+01 -0.121608D+02  0.119886D+01  0.130387D+02
      6   0.936563D+01 -0.584683D+01  0.108177D+00 -0.268341D+01  0.212019D+01
               121           122           123           124           125 
      1  -0.708008D-01 -0.359777D+01 -0.356015D+01  0.338752D+01 -0.279832D-01
      2   0.295736D+01  0.109042D+01 -0.498288D+01  0.766124D+01 -0.273675D+01
      3  -0.288656D+01  0.250735D+01  0.854303D+01 -0.110488D+02  0.276473D+01
      4   0.117564D+01 -0.723485D+00 -0.102945D+01 -0.173416D+01 -0.124279D+01
      5   0.453016D+01 -0.277581D+01 -0.417331D+01  0.119983D+02 -0.333674D+00
      6  -0.224873D+01  0.283962D+00  0.416610D+01  0.213173D+01  0.473785D+01
               126           127           128           129           130 
      1  -0.128918D+02  0.770914D+01  0.545808D+00  0.953232D+00  0.370506D+01
      2  -0.133307D+02 -0.247395D+01  0.147235D+00 -0.479029D+00 -0.193469D+01
      3   0.262225D+02 -0.523519D+01 -0.693043D+00 -0.474203D+00 -0.177038D+01
      4   0.178586D+01  0.302512D+00  0.344891D+01  0.199579D+01  0.520955D+01
      5  -0.135650D+02  0.159262D+01  0.161074D+01  0.296762D+01  0.232622D+01
      6  -0.197811D+01  0.278198D+01  0.106338D+01  0.173890D+01  0.107025D+01
               131           132           133           134           135 
      1  -0.851386D+01 -0.486282D+01  0.198633D+01 -0.406080D+01 -0.788254D+01
      2   0.100522D+02  0.429384D+01 -0.166302D+01  0.245825D+01  0.132057D+01
      3  -0.153830D+01  0.568978D+00 -0.323318D+00  0.160255D+01  0.656197D+01
      4   0.256178D+01  0.234495D+01  0.186821D+01  0.203516D+01  0.228128D+01
      5   0.231089D+01  0.261431D+01  0.366387D+01  0.263795D+01  0.409308D+01
      6   0.893680D+01  0.832298D+01  0.133221D+01  0.740512D+01  0.835029D+01
               136           137           138           139           140 
      1   0.281106D+02 -0.685626D+01  0.453169D+01 -0.220446D+02 -0.192203D+01
      2  -0.150102D+02  0.139897D+01 -0.235324D+01  0.113208D+02  0.417713D+01
      3  -0.131004D+02  0.545729D+01 -0.217846D+01  0.107238D+02 -0.225510D+01
      4  -0.762905D+01  0.168994D+02 -0.137589D+01  0.109913D+02 -0.472608D+01
      5   0.292166D+01 -0.121325D+01  0.151032D+02 -0.212145D+01  0.132187D+01
      6  -0.843257D+00 -0.598998D+00  0.402210D+00 -0.976616D-01  0.182119D+00
               141           142           143           144           145 
      1   0.255490D+00  0.357138D+01  0.866203D+00 -0.481419D+01  0.111195D+02
      2   0.496481D+00 -0.112880D+01 -0.284218D+00  0.979876D+00 -0.171015D+01
      3  -0.751971D+00 -0.244258D+01 -0.581986D+00  0.383431D+01 -0.940933D+01
      4   0.141930D+01 -0.118981D+01 -0.384344D+00 -0.272537D+01 -0.680185D+01
      5   0.687128D+00  0.124179D+01 -0.147257D+01  0.521356D+00  0.464363D+01
      6   0.522091D+01  0.720378D+00  0.333674D+01 -0.925679D+00  0.252194D+02
               146           147           148           149           150 
      1  -0.627153D+01  0.479386D+01 -0.607141D+01  0.940324D+01  0.680734D+01
      2   0.326684D+01 -0.312151D+01  0.335300D+01  0.916925D+01  0.777031D+01
      3   0.300469D+01 -0.167236D+01  0.271841D+01 -0.185725D+02 -0.145776D+02
      4  -0.900417D+01  0.102217D+02 -0.864603D+01  0.190120D+01  0.561254D+01
      5   0.209906D+02 -0.164128D+02  0.206161D+02  0.437097D+01  0.190431D+01
      6  -0.136657D+01 -0.241314D+00 -0.127842D+01 -0.409001D+01 -0.206022D+02
               151           152           153           154           155 
      1   0.371086D+01  0.341507D+01 -0.804129D+01  0.111696D+01  0.312663D+02
      2  -0.168408D+01  0.885873D+01 -0.605031D+01  0.610711D+00 -0.161692D+02
      3  -0.202678D+01 -0.122738D+02  0.140916D+02 -0.172768D+01 -0.150971D+02
      4   0.587701D+01  0.452589D+01  0.145179D+01  0.309321D+02 -0.380928D+01
      5  -0.128952D+02  0.183008D+01 -0.415794D+01 -0.170398D+02  0.447605D+01
      6  -0.419237D+00 -0.149398D+02 -0.121665D+02 -0.128421D+01 -0.463955D+00
               156           157           158           159           160 
      1  -0.190010D+02  0.366766D+02 -0.737488D+01  0.816498D+01 -0.246510D+02
      2   0.628793D+01 -0.201935D+02  0.385813D+00 -0.420403D+01  0.602668D+01
      3   0.127131D+02 -0.164831D+02  0.698907D+01 -0.396095D+01  0.186243D+02
      4   0.466729D+01 -0.814547D+01 -0.261880D+02 -0.147600D+02  0.727902D+01
      5  -0.201091D+02  0.762551D+01 -0.140310D+02  0.619031D+01 -0.308224D+02
      6  -0.337779D+00 -0.991125D+00  0.867685D+00  0.128069D+01  0.200506D+00
               161           162           163           164           165 
      1   0.765238D+01 -0.222134D+02  0.949900D+01  0.251765D+02 -0.803988D+01
      2  -0.397699D+01  0.190134D+02 -0.222701D+02 -0.123841D+02 -0.395754D+01
      3  -0.367539D+01  0.320005D+01  0.127711D+02 -0.127924D+02  0.119974D+02
      4  -0.152380D+02  0.488967D+01  0.210796D+02 -0.200641D+02  0.998276D+01
      5   0.491437D+01  0.322970D+02 -0.871071D+01  0.243045D+01 -0.873997D+01
      6   0.641509D+00  0.163497D+01  0.406435D+01 -0.670632D+01  0.819402D+01
               166           167           168           169           170 
      1   0.240269D+02 -0.100819D+02 -0.629354D+00 -0.108109D+02  0.160023D+01
      2  -0.120978D+02  0.931563D+01  0.102493D+02 -0.485581D+01  0.134796D+02
      3  -0.119291D+02  0.766273D+00 -0.961998D+01  0.156667D+02 -0.150799D+02
      4  -0.164513D+02 -0.818182D+01 -0.145491D+02  0.124896D+02 -0.175368D+02
      5   0.228756D+01 -0.119523D+02  0.174839D+01 -0.126963D+02  0.720184D+01
      6  -0.564653D+01  0.129507D+02  0.208850D+00  0.110178D+02 -0.401678D+01
               171           172           173           174           175 
      1  -0.396879D+01 -0.553165D+01  0.787524D+01 -0.121381D+02  0.608186D+01
      2   0.115000D+02 -0.784426D+00 -0.414392D+01 -0.347238D+01 -0.346621D+01
      3  -0.753124D+01  0.631608D+01 -0.373133D+01  0.156104D+02 -0.261565D+01
      4   0.127269D+02 -0.703551D+01  0.548179D+01 -0.449926D+01  0.603568D+01
      5   0.248521D+02  0.179502D+02 -0.987968D+01  0.118930D+02 -0.108316D+02
      6  -0.193235D+02 -0.141573D+02  0.127196D+02 -0.114768D+02  0.981277D+01
               176           177           178           179           180 
      1  -0.104514D+02  0.849837D+01 -0.548052D+01  0.473693D+01 -0.858147D+01
      2   0.581056D+01 -0.671211D+00 -0.236623D+01 -0.223825D+00 -0.312233D+01
      3   0.464088D+01 -0.782716D+01  0.784675D+01 -0.451311D+01  0.117038D+02
      4  -0.373525D+01  0.121441D+01 -0.246655D+01  0.116601D+01 -0.226913D+01
      5   0.533282D+01 -0.492885D+01  0.817385D+01 -0.359374D+01  0.705182D+01
      6  -0.133562D+02  0.140908D+02 -0.621531D+01  0.885033D+01 -0.803771D+01
               181           182           183           184           185 
      1   0.705259D+01 -0.659227D+00  0.458040D+01  0.854394D+00 -0.510866D+01
      2  -0.712491D+01  0.332270D+00  0.732031D+01 -0.221720D+00  0.286175D+01
      3   0.723166D-01  0.326957D+00 -0.119007D+02 -0.632674D+00  0.224691D+01
      4   0.133662D+02  0.109153D+02 -0.829904D+01  0.103231D+02  0.956904D+01
      5  -0.232088D+02 -0.132999D+02  0.191779D+02 -0.133351D+02 -0.100759D+02
      6  -0.132086D+02 -0.117449D+02  0.110333D+02 -0.895179D+01 -0.125501D+02
               186           187           188           189           190 
      1   0.533944D+01  0.162043D+01  0.269513D+01 -0.401577D+01 -0.202100D+01
      2   0.105898D+01  0.456620D+01  0.899439D+00 -0.563053D+01 -0.148561D+01
      3  -0.639842D+01 -0.618663D+01 -0.359456D+01  0.964630D+01  0.350660D+01
      4  -0.657447D+01 -0.440811D+01 -0.393170D+01  0.516807D+01 -0.112924D+00
      5   0.930016D+01  0.130676D+02  0.623021D+01 -0.117620D+02 -0.815804D+00
      6   0.133721D+02  0.637650D+01  0.886775D+01 -0.769564D+01  0.468651D+00
               191           192           193           194           195 
      1  -0.430993D+00 -0.234878D+01 -0.970617D+00 -0.905309D+01 -0.144133D+02
      2  -0.433729D+00  0.215402D+00 -0.268497D+00 -0.364532D+01 -0.114600D+02
      3   0.864722D+00  0.213338D+01  0.123911D+01  0.126984D+02  0.258733D+02
      4   0.304385D+01 -0.545759D-01  0.273305D+01 -0.580486D+01 -0.331435D+01
      5   0.125565D+01  0.633854D+01  0.405834D+01 -0.286668D+01 -0.456182D+01
      6   0.587625D+00  0.617727D+00  0.562820D+00  0.209611D+02  0.158051D+02
               196           197           198           199           200 
      1  -0.151299D+01 -0.690878D+01 -0.138467D+02  0.837907D+00  0.482838D+01
      2   0.317689D+00 -0.717015D+01 -0.128095D+02  0.631781D+00  0.368937D+00
      3   0.119530D+01  0.140789D+02  0.266563D+02 -0.146969D+01 -0.519732D+01
      4   0.158360D-02 -0.245033D+01 -0.288643D+01  0.530935D+01  0.110711D+02
      5   0.586518D+01 -0.241404D+01 -0.456831D+01  0.399262D+01  0.914385D+00
      6   0.413816D+00  0.128015D+02  0.120257D+02  0.149416D+01 -0.116390D-02
               201           202           203           204           205 
      1   0.597065D+01  0.162303D+02  0.405488D+01 -0.202918D+01  0.116458D+02
      2  -0.195785D+01 -0.515077D+01  0.896155D+01  0.212799D+01 -0.411838D+01
      3  -0.401280D+01 -0.110796D+02 -0.130164D+02 -0.988099D-01 -0.752741D+01
      4   0.179954D+01  0.178555D+02  0.414651D+02  0.699334D+01  0.262692D+01
      5   0.281559D+01 -0.368202D+00  0.679431D+01  0.753317D+01  0.455056D+01
      6  -0.102036D+00 -0.661994D+00 -0.257969D+00  0.389253D+01 -0.695543D+00
               206           207           208           209           210 
      1  -0.905203D+00 -0.129229D+01  0.626248D+02 -0.155529D+02  0.171051D+02
      2   0.122214D+01 -0.588409D+00 -0.311195D+02  0.705214D+01 -0.891740D+01
      3  -0.316935D+00  0.188070D+01 -0.315053D+02  0.850073D+01 -0.818774D+01
      4   0.799086D+01  0.432312D+01 -0.165180D+02  0.124531D+02 -0.473377D+01
      5   0.507031D+01  0.158940D+01  0.182154D+02 -0.483291D+01  0.151992D+02
      6   0.332235D+01  0.216214D+01 -0.428264D+00  0.360949D+00 -0.280560D+00
               211           212           213           214           215 
      1  -0.309891D+02  0.116290D+02 -0.671995D+01  0.326202D+02 -0.686923D+01
      2   0.144549D+02 -0.299276D+01  0.339344D+01 -0.169632D+02  0.345268D+01
      3   0.165342D+02 -0.863627D+01  0.332652D+01 -0.156569D+02  0.341655D+01
      4   0.172048D+02 -0.113423D+02  0.703809D+01 -0.832843D+01  0.970411D+01
      5  -0.828867D+01  0.686709D+01 -0.891808D+01  0.216212D+02 -0.622365D+01
      6   0.126373D+01 -0.124254D+01  0.176535D+01 -0.119132D+01  0.195875D+01
               216           217           218           219           220 
      1   0.151860D+02  0.177680D+02 -0.223380D+01 -0.102384D+02 -0.578664D+01
      2  -0.106487D+02 -0.122155D+02  0.109721D+01  0.821294D+01  0.337147D+01
      3  -0.453728D+01 -0.555248D+01  0.113659D+01  0.202543D+01  0.241517D+01
      4  -0.576447D+01 -0.140516D+01  0.397960D+01 -0.136931D+01  0.617380D+01
      5   0.122389D+02 -0.144905D+02 -0.845738D+00  0.185340D+02  0.605414D+00
      6  -0.169246D+01 -0.470329D+00 -0.110297D+01  0.983814D+00 -0.195564D+01
               221           222           223           224           225 
      1   0.225915D+01 -0.213380D+00 -0.228759D+02 -0.194263D+01  0.130405D+02
      2  -0.129251D+01 -0.176514D+00  0.181066D+02  0.106571D+01 -0.217308D+02
      3  -0.966640D+00  0.389894D+00  0.476931D+01  0.876919D+00  0.869030D+01
      4   0.181538D+01 -0.468651D+01 -0.235645D+01 -0.737718D+01  0.508980D-01
      5  -0.431077D+01 -0.242648D+01  0.315503D+02 -0.815919D-01 -0.481892D+02
      6   0.303368D+00  0.391056D+01  0.109461D+01  0.435308D+01 -0.266919D+01
               226           227           228           229           230 
      1  -0.146032D+02 -0.182184D+02  0.605910D-01 -0.134827D+02 -0.174662D+02
      2   0.139413D+02  0.223537D+02  0.774114D+00  0.148722D+02  0.244721D+02
      3   0.661993D+00 -0.413529D+01 -0.834705D+00 -0.138949D+01 -0.700591D+01
      4   0.117979D+02  0.311099D+00 -0.263056D+01  0.471848D+01  0.161163D+00
      5   0.587382D+01  0.804455D+00 -0.453905D+00  0.157275D+01  0.272207D+01
      6  -0.674274D+00  0.409699D+01  0.406610D+01  0.192386D+01  0.185041D+01
               231           232           233           234           235 
      1  -0.170027D+00  0.217069D+01  0.781394D+00 -0.330649D+01  0.400693D+01
      2  -0.105913D+01 -0.558449D-01 -0.380130D+01  0.152848D+01 -0.206684D+01
      3   0.122916D+01 -0.211485D+01  0.301991D+01  0.177801D+01 -0.194009D+01
      4   0.749730D+00 -0.212766D+01  0.321684D+01 -0.451974D+00 -0.740146D+01
      5  -0.938784D+00  0.142993D+01 -0.155649D+01 -0.177276D+01 -0.783809D+01
      6   0.421807D+01  0.162920D+01  0.400830D+01  0.155029D+01  0.412608D+01
               236           237           238           239           240 
      1  -0.296480D+01 -0.332124D+01 -0.990775D+00 -0.178774D+01 -0.330316D+01
      2   0.201549D+00  0.496596D+01 -0.809636D+00  0.153886D+01  0.303481D+01
      3   0.276325D+01 -0.164473D+01  0.180041D+01  0.248875D+00  0.268356D+00
      4   0.752804D+01  0.460621D+01  0.448741D+01 -0.262937D+01 -0.318700D+01
      5   0.317183D+01  0.117018D+02  0.402271D+00 -0.331071D+01 -0.238224D+01
      6  -0.216528D+01 -0.649715D+01 -0.138959D+01  0.355838D+01  0.747457D+01
               241           242           243           244           245 
      1  -0.417545D+01 -0.569001D+01 -0.861923D+01  0.240973D+02 -0.114972D+02
      2   0.613136D+01  0.457945D+01 -0.118221D+02  0.798172D+00 -0.868844D+01
      3  -0.195591D+01  0.111056D+01  0.204414D+02 -0.248954D+02  0.201857D+02
      4   0.828822D+01 -0.103167D+02 -0.135217D+02 -0.349253D+02  0.320420D+02
      5   0.156013D+02 -0.106851D+02 -0.339160D+02  0.529265D+01 -0.313082D+01
      6  -0.941254D+01  0.145874D+02  0.294377D+02 -0.502038D+01  0.353332D+01
               246           247           248           249           250 
      1   0.577992D+01 -0.870889D+01  0.270225D+01 -0.739396D+00  0.101469D+02
      2   0.762200D+00 -0.663524D+01  0.162471D+02 -0.426431D+01  0.899520D+00
      3  -0.654212D+01  0.153441D+02 -0.189494D+02  0.500371D+01 -0.110464D+02
      4  -0.810994D+01  0.242562D+02 -0.273451D+02  0.783262D+01 -0.162817D+02
      5   0.818217D+01 -0.236157D+01  0.492304D+01 -0.401352D+01  0.891212D+01
      6  -0.730941D+01  0.347077D+01 -0.488416D+01  0.554029D+01 -0.747167D+01
               251           252           253           254           255 
      1  -0.221546D+01  0.335483D+01 -0.124062D+02  0.134691D+02 -0.214465D+01
      2  -0.884185D+01  0.916591D-03  0.519695D+01 -0.310624D+01  0.146570D+01
      3   0.110573D+02 -0.335574D+01  0.720927D+01 -0.103629D+02  0.678957D+00
      4   0.177267D+02 -0.103055D+02  0.177162D+02 -0.174098D+02 -0.649808D+00
      5  -0.703839D+01  0.528899D+01 -0.205341D+01 -0.451774D+00 -0.178788D+02
      6   0.766236D+01 -0.522988D+01  0.437775D+00 -0.368636D+00  0.235024D+01
               256           257           258           259           260 
      1   0.763649D+00 -0.291199D+01 -0.187536D+01 -0.780524D+00 -0.496304D+00
      2  -0.280250D+01 -0.103988D+02  0.101487D-02  0.191580D+00  0.171774D+01
      3   0.203886D+01  0.133108D+02  0.187434D+01  0.588943D+00 -0.122144D+01
      4  -0.303022D+02 -0.413386D+02  0.220955D+01  0.246015D+01  0.355455D+01
      5   0.143340D+01  0.191428D+01 -0.112967D+02  0.696663D+01 -0.551028D+01
      6  -0.953096D+00  0.649897D+00 -0.897817D+01  0.796654D+00  0.420422D+01
               261           262           263           264           265 
      1  -0.137565D+01 -0.224386D+02 -0.372320D+02  0.372287D+01 -0.556120D+02
      2  -0.669206D+01  0.159026D+02  0.169959D+02 -0.235291D+01  0.264912D+02
      3   0.806771D+01  0.653592D+01  0.202362D+02 -0.136996D+01  0.291209D+02
      4  -0.524006D+01 -0.413941D+02  0.815678D+01  0.123010D+01 -0.389784D+01
      5   0.358757D+01  0.380864D+01  0.110726D+01  0.618020D+01  0.128214D+01
      6   0.208700D+01 -0.107771D+01 -0.517239D+00 -0.234523D+01 -0.898634D-01
               266           267           268           269           270 
      1  -0.260622D+01  0.207635D+01  0.584873D+01  0.188513D+01  0.522096D+01
      2   0.268858D+01 -0.350166D+01 -0.203743D+01 -0.404193D+01 -0.581770D+01
      3  -0.823615D-01  0.142531D+01 -0.381130D+01  0.215681D+01  0.596740D+00
      4   0.185081D+02  0.345121D+01  0.142316D+01  0.465116D+01  0.360006D+02
      5   0.384864D+01  0.317250D+02 -0.744237D+01  0.382001D+02 -0.857646D+01
      6  -0.189032D+01 -0.102603D+02  0.538969D+01 -0.143965D+02  0.288179D+01
               271           272           273           274           275 
      1   0.167045D+02  0.113774D+02 -0.163964D+01  0.389464D+02 -0.105478D+02
      2  -0.527225D+01 -0.366003D+01  0.537739D+00 -0.120060D+02  0.327499D+02
      3  -0.114323D+02 -0.771741D+01  0.110190D+01 -0.269405D+02 -0.222021D+02
      4   0.176759D+02  0.215040D+02 -0.505453D+00  0.367477D+02  0.741218D+02
      5  -0.116138D+01 -0.485763D+00  0.101674D+02 -0.260516D+00 -0.298477D+01
      6  -0.332760D+00  0.200021D+00  0.342435D+00  0.922995D+00 -0.327375D+00
               276           277           278           279           280 
      1   0.180958D+01 -0.338341D+01  0.994894D+00 -0.209711D+00  0.729413D+01
      2  -0.992234D+00  0.166011D+01 -0.142880D+01  0.113627D+01 -0.440178D+01
      3  -0.817343D+00  0.172331D+01  0.433906D+00 -0.926555D+00 -0.289236D+01
      4  -0.303119D+01 -0.149385D+01 -0.418802D+01  0.168536D+02 -0.157685D+01
      5   0.169820D+02  0.129148D+02  0.158169D+02 -0.434545D+01  0.636771D+01
      6   0.149016D+02  0.347980D+01  0.113277D+02 -0.208878D+01 -0.280126D+01
               281           282           283           284           285 
      1  -0.214239D+01  0.706223D+01 -0.838962D+01  0.265426D+00  0.181968D+01
      2   0.116677D+01 -0.320858D+01  0.318414D+01  0.459027D+01 -0.203762D+01
      3   0.975624D+00 -0.385365D+01  0.520548D+01 -0.485569D+01  0.217943D+00
      4   0.237180D+01 -0.306894D+01  0.140561D+02 -0.276436D+02  0.148214D+02
      5  -0.251057D+01  0.426545D+01 -0.643418D+01  0.152730D+02 -0.220510D+02
      6   0.132312D+00 -0.163252D+00  0.299087D+01 -0.895531D+01  0.106011D+02
               286           287           288           289           290 
      1   0.183772D+02 -0.235491D+00 -0.216939D+01  0.977252D+02  0.191501D+02
      2  -0.103658D+02 -0.810995D+00 -0.473511D+01 -0.519717D+02 -0.112618D+02
      3  -0.801146D+01  0.104649D+01  0.690451D+01 -0.457535D+02 -0.788829D+01
      4  -0.124102D+02  0.215363D+02 -0.228417D+02  0.139518D+02  0.148321D+02
      5   0.170279D+02 -0.243299D+02  0.404944D+02 -0.149792D+01 -0.358061D+00
      6  -0.524999D+01  0.124514D+02 -0.143563D+02  0.835136D+00  0.379076D+00
               291           292           293           294           295 
      1  -0.236696D+01  0.428466D+02  0.145484D+02 -0.884507D+00 -0.525856D+01
      2   0.121872D+01 -0.228273D+02 -0.691894D+01  0.678771D+00  0.275754D+01
      3   0.114824D+01 -0.200193D+02 -0.762947D+01  0.205735D+00  0.250102D+01
      4  -0.397017D+00  0.163419D+02  0.134162D+02 -0.993198D+00 -0.406927D+00
      5   0.134342D+02 -0.530854D+00 -0.911619D+00  0.436718D+01  0.133607D+02
      6  -0.731135D+00  0.415566D+00  0.407206D+00  0.182720D+01 -0.166769D+00
               296           297           298           299           300 
      1  -0.771441D+00  0.897527D+01  0.604408D+01 -0.300000D+01 -0.650456D+01
      2   0.801809D+00 -0.553490D+01 -0.273418D+01  0.174353D+01  0.291907D+01
      3  -0.303683D-01 -0.344037D+01 -0.330990D+01  0.125648D+01  0.358549D+01
      4  -0.154726D+01 -0.503938D+00 -0.175358D+01  0.194575D+01  0.230892D+01
      5  -0.164785D+00 -0.829715D+00 -0.541944D+01  0.160665D+01  0.213140D+01
      6   0.262068D+01 -0.185326D+00  0.285088D+01  0.330453D+00  0.317704D+00
               301           302           303           304           305 
      1  -0.105053D+02 -0.100793D+01 -0.305356D+01 -0.169682D+02 -0.893076D+00
      2   0.343082D+01  0.926101D+01  0.484452D+01  0.811159D+01  0.423369D+01
      3   0.707450D+01 -0.825309D+01 -0.179096D+01  0.885656D+01 -0.334061D+01
      4   0.157148D+02 -0.354668D+02 -0.162000D+02  0.112969D+02 -0.237298D+02
      5   0.492199D+01 -0.170754D+02 -0.218256D+02  0.127001D+02 -0.237046D+02
      6  -0.277582D+01  0.988640D+01  0.100496D+02 -0.448793D+01  0.120322D+02
               306 
      1  -0.254323D+01
      2  -0.307577D+00
      3   0.285081D+01
      4  -0.221118D+02
      5  -0.289098D+02
      6   0.115434D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 10 01:11:43 2021, MaxMem= 17179869184 cpu:           77977.9 elap:            6513.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31191 -19.25555 -10.42760 -10.34687 -10.30532
 Alpha  occ. eigenvalues --  -10.30513 -10.30312 -10.29328 -10.28695 -10.28578
 Alpha  occ. eigenvalues --  -10.28344 -10.28315 -10.28264 -10.28241  -1.21115
 Alpha  occ. eigenvalues --   -1.12260  -0.98967  -0.87770  -0.86339  -0.85830
 Alpha  occ. eigenvalues --   -0.83681  -0.77871  -0.77323  -0.73348  -0.71933
 Alpha  occ. eigenvalues --   -0.66997  -0.62311  -0.61569  -0.58472  -0.57430
 Alpha  occ. eigenvalues --   -0.57244  -0.55715  -0.55608  -0.53229  -0.52180
 Alpha  occ. eigenvalues --   -0.50368  -0.49931  -0.49292  -0.48489  -0.47790
 Alpha  occ. eigenvalues --   -0.47575  -0.46310  -0.46039  -0.44689  -0.44384
 Alpha  occ. eigenvalues --   -0.43126  -0.41754  -0.41110  -0.39839  -0.39664
 Alpha  occ. eigenvalues --   -0.37595  -0.37212  -0.36709  -0.35716
 Alpha virt. eigenvalues --    0.03458   0.03880   0.04170   0.04569   0.05544
 Alpha virt. eigenvalues --    0.05816   0.06109   0.06262   0.06332   0.07340
 Alpha virt. eigenvalues --    0.07579   0.08037   0.08357   0.08700   0.08742
 Alpha virt. eigenvalues --    0.09093   0.09558   0.10305   0.10512   0.10810
 Alpha virt. eigenvalues --    0.11723   0.12157   0.12724   0.12849   0.13150
 Alpha virt. eigenvalues --    0.13700   0.14131   0.14376   0.14662   0.14836
 Alpha virt. eigenvalues --    0.15217   0.15495   0.15995   0.16333   0.16470
 Alpha virt. eigenvalues --    0.16740   0.17116   0.17594   0.17833   0.17995
 Alpha virt. eigenvalues --    0.18362   0.18434   0.18544   0.18964   0.19252
 Alpha virt. eigenvalues --    0.19886   0.20067   0.20557   0.20780   0.21466
 Alpha virt. eigenvalues --    0.21844   0.21951   0.22549   0.22928   0.23284
 Alpha virt. eigenvalues --    0.23510   0.23756   0.24142   0.24275   0.24950
 Alpha virt. eigenvalues --    0.25248   0.25413   0.25700   0.26197   0.26718
 Alpha virt. eigenvalues --    0.27082   0.27563   0.28050   0.28268   0.28881
 Alpha virt. eigenvalues --    0.29264   0.29729   0.29813   0.30086   0.30567
 Alpha virt. eigenvalues --    0.30713   0.31191   0.31581   0.32101   0.32822
 Alpha virt. eigenvalues --    0.33036   0.33700   0.33991   0.34473   0.35252
 Alpha virt. eigenvalues --    0.35754   0.36355   0.36596   0.36782   0.36945
 Alpha virt. eigenvalues --    0.37120   0.37411   0.37996   0.38584   0.39018
 Alpha virt. eigenvalues --    0.39320   0.39837   0.40246   0.40323   0.40906
 Alpha virt. eigenvalues --    0.41020   0.41635   0.42362   0.42657   0.43112
 Alpha virt. eigenvalues --    0.43568   0.43856   0.44097   0.44598   0.45229
 Alpha virt. eigenvalues --    0.45563   0.46135   0.46441   0.47373   0.47797
 Alpha virt. eigenvalues --    0.48461   0.48663   0.48715   0.49131   0.49524
 Alpha virt. eigenvalues --    0.49751   0.49992   0.50531   0.50586   0.51315
 Alpha virt. eigenvalues --    0.51868   0.52338   0.53007   0.53798   0.53894
 Alpha virt. eigenvalues --    0.54582   0.55071   0.55120   0.55689   0.56557
 Alpha virt. eigenvalues --    0.56983   0.57438   0.58338   0.58513   0.59272
 Alpha virt. eigenvalues --    0.59628   0.60071   0.60984   0.61127   0.61719
 Alpha virt. eigenvalues --    0.62080   0.62788   0.62917   0.63258   0.63731
 Alpha virt. eigenvalues --    0.64061   0.64676   0.64924   0.65549   0.65681
 Alpha virt. eigenvalues --    0.66299   0.66648   0.66941   0.67445   0.67699
 Alpha virt. eigenvalues --    0.67897   0.68097   0.68734   0.69371   0.69789
 Alpha virt. eigenvalues --    0.70134   0.70832   0.71445   0.71847   0.72014
 Alpha virt. eigenvalues --    0.72986   0.73705   0.73856   0.74506   0.74870
 Alpha virt. eigenvalues --    0.75344   0.75382   0.75947   0.76140   0.76695
 Alpha virt. eigenvalues --    0.77471   0.77588   0.78614   0.78735   0.79588
 Alpha virt. eigenvalues --    0.79650   0.80612   0.81033   0.81786   0.82037
 Alpha virt. eigenvalues --    0.82086   0.82983   0.83356   0.83718   0.84046
 Alpha virt. eigenvalues --    0.84312   0.84494   0.84683   0.85916   0.86600
 Alpha virt. eigenvalues --    0.87612   0.87814   0.89320   0.89604   0.89929
 Alpha virt. eigenvalues --    0.90718   0.91320   0.91688   0.92643   0.92872
 Alpha virt. eigenvalues --    0.93526   0.93625   0.94572   0.94992   0.95756
 Alpha virt. eigenvalues --    0.95844   0.96599   0.97237   0.97529   0.98663
 Alpha virt. eigenvalues --    0.99293   1.00155   1.00548   1.01670   1.01981
 Alpha virt. eigenvalues --    1.02401   1.02919   1.03654   1.04629   1.04977
 Alpha virt. eigenvalues --    1.06019   1.06389   1.07883   1.08505   1.08995
 Alpha virt. eigenvalues --    1.11093   1.11922   1.12786   1.13338   1.14597
 Alpha virt. eigenvalues --    1.16082   1.16540   1.17216   1.18337   1.20009
 Alpha virt. eigenvalues --    1.21382   1.21741   1.22484   1.23011   1.23660
 Alpha virt. eigenvalues --    1.24628   1.25822   1.26231   1.26659   1.27648
 Alpha virt. eigenvalues --    1.27919   1.29043   1.30942   1.32568   1.33817
 Alpha virt. eigenvalues --    1.33876   1.34657   1.35566   1.35801   1.37487
 Alpha virt. eigenvalues --    1.39217   1.40216   1.40877   1.42700   1.43156
 Alpha virt. eigenvalues --    1.44012   1.46388   1.46728   1.47422   1.48282
 Alpha virt. eigenvalues --    1.50770   1.51159   1.51963   1.55052   1.56682
 Alpha virt. eigenvalues --    1.56999   1.59516   1.59800   1.59946   1.60537
 Alpha virt. eigenvalues --    1.61213   1.61825   1.63234   1.63678   1.64624
 Alpha virt. eigenvalues --    1.65894   1.66686   1.67814   1.68748   1.69074
 Alpha virt. eigenvalues --    1.69808   1.70550   1.72121   1.72551   1.72786
 Alpha virt. eigenvalues --    1.73517   1.74209   1.75907   1.77402   1.78289
 Alpha virt. eigenvalues --    1.78994   1.79334   1.80101   1.80476   1.81759
 Alpha virt. eigenvalues --    1.82740   1.84030   1.84517   1.86029   1.86504
 Alpha virt. eigenvalues --    1.88522   1.89437   1.90173   1.91400   1.93056
 Alpha virt. eigenvalues --    1.93505   1.94525   1.95052   1.95847   1.96146
 Alpha virt. eigenvalues --    1.96914   1.97778   1.98459   1.99979   2.00505
 Alpha virt. eigenvalues --    2.01274   2.01869   2.03390   2.04394   2.04723
 Alpha virt. eigenvalues --    2.05899   2.06207   2.07022   2.07269   2.07525
 Alpha virt. eigenvalues --    2.08238   2.09670   2.11703   2.12324   2.13652
 Alpha virt. eigenvalues --    2.13957   2.15138   2.15281   2.16168   2.17156
 Alpha virt. eigenvalues --    2.19144   2.20159   2.20900   2.21111   2.22743
 Alpha virt. eigenvalues --    2.23086   2.23812   2.25105   2.26828   2.28364
 Alpha virt. eigenvalues --    2.28713   2.30035   2.30947   2.31477   2.32845
 Alpha virt. eigenvalues --    2.33000   2.34271   2.34524   2.35267   2.36917
 Alpha virt. eigenvalues --    2.37676   2.38291   2.40147   2.42563   2.43229
 Alpha virt. eigenvalues --    2.44215   2.44698   2.46311   2.47601   2.48269
 Alpha virt. eigenvalues --    2.49308   2.50326   2.50422   2.52179   2.53969
 Alpha virt. eigenvalues --    2.54680   2.55353   2.56153   2.56659   2.57901
 Alpha virt. eigenvalues --    2.59666   2.60445   2.62414   2.63638   2.64149
 Alpha virt. eigenvalues --    2.64812   2.66402   2.67546   2.68788   2.69883
 Alpha virt. eigenvalues --    2.71169   2.72557   2.73785   2.75121   2.75803
 Alpha virt. eigenvalues --    2.77276   2.77869   2.77954   2.79175   2.81159
 Alpha virt. eigenvalues --    2.82286   2.84817   2.86221   2.88317   2.89750
 Alpha virt. eigenvalues --    2.90171   2.92215   2.95092   2.96669   2.98753
 Alpha virt. eigenvalues --    3.03053   3.05516   3.09307   3.13344   3.15590
 Alpha virt. eigenvalues --    3.18712   3.19441   3.22530   3.31236   3.32345
 Alpha virt. eigenvalues --    3.46751   3.49451   3.53167   3.53452   3.54165
 Alpha virt. eigenvalues --    3.60309   3.61325   3.68371   3.71212   3.72945
 Alpha virt. eigenvalues --    3.76143   3.86990   3.91981   4.01161   4.08191
 Alpha virt. eigenvalues --    4.51373   5.15271   5.67149
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.270759  -2.686617  -2.500822   0.285864  -0.123142   2.444951
     2  C   -2.686617  10.916580   1.891840  -0.569174  -1.440840  -2.016233
     3  C   -2.500822   1.891840  17.335056  -3.905845   0.940653  -2.622621
     4  C    0.285864  -0.569174  -3.905845  11.038766  -4.325093   1.097163
     5  C   -0.123142  -1.440840   0.940653  -4.325093  18.081528  -8.157046
     6  C    2.444951  -2.016233  -2.622621   1.097163  -8.157046  27.435761
     7  H   -0.564197   0.394636   0.613837   0.017566  -0.096107  -0.024015
     8  H   -0.508488   0.549391  -0.511495   0.157918   0.057023  -0.493762
     9  H    0.243593  -0.825194   0.009721  -0.098670   0.051272   0.311206
    10  H    0.193984  -0.965775  -0.271291   0.045587   0.529782  -0.439938
    11  C   -0.123636   0.118750  -3.825048   0.582464   1.243426  -6.401700
    12  H    0.405477  -0.091205  -2.866797   0.548071   0.183749   0.012977
    13  H    0.024985  -0.172680   0.671556  -1.055385   0.855211  -0.007330
    14  H    0.098429   0.296689  -0.634904  -0.271715  -0.209067   0.033249
    15  H    0.012284   0.144694  -0.342947   1.125673  -2.491609  -0.293010
    16  O   -0.116829   0.043185   0.062654   0.476680  -0.725648  -0.732165
    17  C    0.071936  -0.897878   0.238524   0.356482   0.021155  -1.552033
    18  C   -0.088001  -0.153980   0.091301  -0.209661   0.225440   0.158419
    19  C   -0.152527   0.217872   0.151928  -0.227573  -0.404741   0.020782
    20  H    0.064791  -0.014605  -0.122652   0.060635   0.202918   0.026891
    21  H   -0.022472  -0.031309   0.137491  -0.092687   0.221439  -0.100126
    22  H   -0.066840   0.049932   0.083414   0.055401  -0.219236  -0.155712
    23  H   -0.201541  -0.032949  -0.046277   0.042556   0.017345  -0.388702
    24  H    0.199923  -0.100514  -0.186180   0.093594  -0.027710   0.319112
    25  H   -0.067104   0.126715   0.105987  -0.097363   0.159966  -0.283720
    26  H    0.018091   0.100397  -0.123515  -0.344275  -0.121538   0.002739
    27  H   -0.069348   0.015972   0.159409  -0.101855   0.567117  -0.915742
    28  H    0.087013  -0.116985  -0.191283   0.320925  -0.162889   0.466572
    29  C    0.010775  -0.193930  -0.113416   0.211664  -0.040268  -0.917049
    30  C    0.005843  -0.038821   0.003363  -0.064497   0.048032  -0.001763
    31  O   -0.000975   0.001807  -0.013600   0.038151  -0.006167   0.067480
    32  H    0.003124  -0.009268   0.005745  -0.020222  -0.005590   0.027861
    33  H    0.001920  -0.004823  -0.003432   0.016461   0.020769  -0.001453
    34  H   -0.001982  -0.002412   0.003616  -0.029985   0.021443  -0.027346
               7          8          9         10         11         12
     1  C   -0.564197  -0.508488   0.243593   0.193984  -0.123636   0.405477
     2  C    0.394636   0.549391  -0.825194  -0.965775   0.118750  -0.091205
     3  C    0.613837  -0.511495   0.009721  -0.271291  -3.825048  -2.866797
     4  C    0.017566   0.157918  -0.098670   0.045587   0.582464   0.548071
     5  C   -0.096107   0.057023   0.051272   0.529782   1.243426   0.183749
     6  C   -0.024015  -0.493762   0.311206  -0.439938  -6.401700   0.012977
     7  H    2.906860  -1.060023   0.303125  -0.619096  -0.265930  -0.128738
     8  H   -1.060023   2.885123  -0.384679   0.299363   0.348938   0.079842
     9  H    0.303125  -0.384679   3.472391  -1.376309  -0.307815  -0.001653
    10  H   -0.619096   0.299363  -1.376309   3.825616   0.686907   0.003664
    11  C   -0.265930   0.348938  -0.307815   0.686907  19.597996   0.294697
    12  H   -0.128738   0.079842  -0.001653   0.003664   0.294697   3.443578
    13  H   -0.021798   0.056098  -0.019631   0.003557  -0.083853  -0.188131
    14  H    0.074248  -0.075730   0.058843  -0.016849   0.072168   0.067121
    15  H    0.007025  -0.027198   0.082910   0.002440  -0.005669   0.008711
    16  O   -0.023104   0.035904  -0.223145   0.158909   0.377117  -0.005701
    17  C    0.051131  -0.066044   0.120086  -0.289978  -0.815446  -0.033343
    18  C   -0.178382   0.115028   0.104273  -0.169541  -2.062917   0.071734
    19  C    0.041256  -0.038917  -0.033299   0.049097  -1.116156  -0.028968
    20  H   -0.002100   0.000015  -0.011754  -0.010466  -0.023649   0.002110
    21  H    0.016043  -0.009524   0.044403  -0.031311   0.092208  -0.001726
    22  H   -0.003068   0.000794   0.000163   0.002435   0.007080  -0.004430
    23  H   -0.036001   0.017570   0.029877  -0.010598   0.575637  -0.005565
    24  H   -0.015006   0.026348  -0.015113   0.021565  -0.205573   0.011007
    25  H    0.031406  -0.013868   0.025240  -0.035634   0.193426   0.021243
    26  H    0.003438   0.003867  -0.002622  -0.000615   0.465961   0.017490
    27  H   -0.014621   0.004944  -0.007845   0.019687   0.337393   0.011592
    28  H    0.017355  -0.006168   0.004513  -0.010802  -0.095639   0.001797
    29  C    0.001038   0.002658  -0.082798   0.045448   0.027622   0.012164
    30  C    0.003791  -0.013480   0.023011  -0.008547  -0.042779   0.000035
    31  O    0.000484  -0.002894   0.002702  -0.000529   0.003912  -0.000226
    32  H    0.000392  -0.000081   0.002046  -0.000175  -0.003396   0.000145
    33  H   -0.000024   0.000867  -0.005111  -0.000094   0.002273  -0.000195
    34  H    0.000677  -0.004207   0.003253   0.000371  -0.004561   0.000490
              13         14         15         16         17         18
     1  C    0.024985   0.098429   0.012284  -0.116829   0.071936  -0.088001
     2  C   -0.172680   0.296689   0.144694   0.043185  -0.897878  -0.153980
     3  C    0.671556  -0.634904  -0.342947   0.062654   0.238524   0.091301
     4  C   -1.055385  -0.271715   1.125673   0.476680   0.356482  -0.209661
     5  C    0.855211  -0.209067  -2.491609  -0.725648   0.021155   0.225440
     6  C   -0.007330   0.033249  -0.293010  -0.732165  -1.552033   0.158419
     7  H   -0.021798   0.074248   0.007025  -0.023104   0.051131  -0.178382
     8  H    0.056098  -0.075730  -0.027198   0.035904  -0.066044   0.115028
     9  H   -0.019631   0.058843   0.082910  -0.223145   0.120086   0.104273
    10  H    0.003557  -0.016849   0.002440   0.158909  -0.289978  -0.169541
    11  C   -0.083853   0.072168  -0.005669   0.377117  -0.815446  -2.062917
    12  H   -0.188131   0.067121   0.008711  -0.005701  -0.033343   0.071734
    13  H    2.716897  -0.865597  -0.522360   0.065057   0.072410   0.074844
    14  H   -0.865597   2.936037   0.277028  -0.172906  -0.113571  -0.089763
    15  H   -0.522360   0.277028   4.448689  -0.345874  -0.101555  -0.065304
    16  O    0.065057  -0.172906  -0.345874   9.923065  -0.019613  -0.024107
    17  C    0.072410  -0.113571  -0.101555  -0.019613   7.546498   0.016484
    18  C    0.074844  -0.089763  -0.065304  -0.024107   0.016484   6.968895
    19  C   -0.222877   0.164253   0.156139  -0.019051  -0.172711  -0.572319
    20  H    0.000793  -0.008558   0.017152  -0.050713  -0.008338   0.045524
    21  H   -0.001707  -0.003563   0.014537   0.012972  -0.274938  -0.101599
    22  H    0.012221   0.000004  -0.082167   0.050558   0.265191   0.042209
    23  H    0.012190  -0.008265  -0.001336   0.005431   0.128522  -0.026920
    24  H    0.014540  -0.005244  -0.013588   0.004896  -0.012168   0.024420
    25  H   -0.015574   0.005000   0.013954  -0.008046  -0.193181   0.022442
    26  H   -0.008275   0.010830  -0.035815   0.004489  -0.034408   0.125024
    27  H    0.022366  -0.013933  -0.018531   0.015815  -0.066908   0.042197
    28  H    0.000313   0.024578   0.008714  -0.008686   0.045692  -0.198425
    29  C    0.020754  -0.078577  -0.070607   0.163224   0.076679  -0.055228
    30  C   -0.006889  -0.014232  -0.020940  -0.210322   0.039820  -0.004801
    31  O    0.004186   0.000904  -0.000548  -0.085418   0.006212   0.001015
    32  H   -0.002456   0.001659   0.002957  -0.131710  -0.007955  -0.001217
    33  H    0.001970  -0.004456  -0.004114   0.164638   0.000983   0.000008
    34  H    0.001505  -0.007120   0.004507  -0.157800   0.005484  -0.000669
              19         20         21         22         23         24
     1  C   -0.152527   0.064791  -0.022472  -0.066840  -0.201541   0.199923
     2  C    0.217872  -0.014605  -0.031309   0.049932  -0.032949  -0.100514
     3  C    0.151928  -0.122652   0.137491   0.083414  -0.046277  -0.186180
     4  C   -0.227573   0.060635  -0.092687   0.055401   0.042556   0.093594
     5  C   -0.404741   0.202918   0.221439  -0.219236   0.017345  -0.027710
     6  C    0.020782   0.026891  -0.100126  -0.155712  -0.388702   0.319112
     7  H    0.041256  -0.002100   0.016043  -0.003068  -0.036001  -0.015006
     8  H   -0.038917   0.000015  -0.009524   0.000794   0.017570   0.026348
     9  H   -0.033299  -0.011754   0.044403   0.000163   0.029877  -0.015113
    10  H    0.049097  -0.010466  -0.031311   0.002435  -0.010598   0.021565
    11  C   -1.116156  -0.023649   0.092208   0.007080   0.575637  -0.205573
    12  H   -0.028968   0.002110  -0.001726  -0.004430  -0.005565   0.011007
    13  H   -0.222877   0.000793  -0.001707   0.012221   0.012190   0.014540
    14  H    0.164253  -0.008558  -0.003563   0.000004  -0.008265  -0.005244
    15  H    0.156139   0.017152   0.014537  -0.082167  -0.001336  -0.013588
    16  O   -0.019051  -0.050713   0.012972   0.050558   0.005431   0.004896
    17  C   -0.172711  -0.008338  -0.274938   0.265191   0.128522  -0.012168
    18  C   -0.572319   0.045524  -0.101599   0.042209  -0.026920   0.024420
    19  C    6.551827   0.016660   0.030785  -0.088262   0.066303  -0.163177
    20  H    0.016660   1.848071  -0.515272  -0.440685   0.017066  -0.010146
    21  H    0.030785  -0.515272   2.153229  -0.449077  -0.048589   0.020238
    22  H   -0.088262  -0.440685  -0.449077   2.029976   0.019561   0.005849
    23  H    0.066303   0.017066  -0.048589   0.019561   2.363479  -0.585380
    24  H   -0.163177  -0.010146   0.020238   0.005849  -0.585380   2.249121
    25  H    0.035660   0.008473   0.049657  -0.031263  -0.588206  -0.487835
    26  H    0.062028   0.009016   0.020340  -0.050146  -0.047189   0.033467
    27  H   -0.017679   0.011043  -0.020375   0.057477   0.038325  -0.001201
    28  H   -0.143550  -0.008301   0.007149   0.019571   0.026532  -0.011432
    29  C    0.006792  -0.033631   0.034312  -0.013243  -0.003384   0.002230
    30  C   -0.005232  -0.016880   0.007256  -0.002823  -0.001702   0.000262
    31  O    0.007560   0.000211  -0.000137   0.001233   0.000282   0.000000
    32  H    0.000787  -0.008352   0.002618  -0.000879  -0.000403   0.000103
    33  H   -0.000446   0.000256   0.000027  -0.000360   0.000021   0.000035
    34  H   -0.000958   0.000609   0.000828  -0.000867  -0.000210  -0.000077
              25         26         27         28         29         30
     1  C   -0.067104   0.018091  -0.069348   0.087013   0.010775   0.005843
     2  C    0.126715   0.100397   0.015972  -0.116985  -0.193930  -0.038821
     3  C    0.105987  -0.123515   0.159409  -0.191283  -0.113416   0.003363
     4  C   -0.097363  -0.344275  -0.101855   0.320925   0.211664  -0.064497
     5  C    0.159966  -0.121538   0.567117  -0.162889  -0.040268   0.048032
     6  C   -0.283720   0.002739  -0.915742   0.466572  -0.917049  -0.001763
     7  H    0.031406   0.003438  -0.014621   0.017355   0.001038   0.003791
     8  H   -0.013868   0.003867   0.004944  -0.006168   0.002658  -0.013480
     9  H    0.025240  -0.002622  -0.007845   0.004513  -0.082798   0.023011
    10  H   -0.035634  -0.000615   0.019687  -0.010802   0.045448  -0.008547
    11  C    0.193426   0.465961   0.337393  -0.095639   0.027622  -0.042779
    12  H    0.021243   0.017490   0.011592   0.001797   0.012164   0.000035
    13  H   -0.015574  -0.008275   0.022366   0.000313   0.020754  -0.006889
    14  H    0.005000   0.010830  -0.013933   0.024578  -0.078577  -0.014232
    15  H    0.013954  -0.035815  -0.018531   0.008714  -0.070607  -0.020940
    16  O   -0.008046   0.004489   0.015815  -0.008686   0.163224  -0.210322
    17  C   -0.193181  -0.034408  -0.066908   0.045692   0.076679   0.039820
    18  C    0.022442   0.125024   0.042197  -0.198425  -0.055228  -0.004801
    19  C    0.035660   0.062028  -0.017679  -0.143550   0.006792  -0.005232
    20  H    0.008473   0.009016   0.011043  -0.008301  -0.033631  -0.016880
    21  H    0.049657   0.020340  -0.020375   0.007149   0.034312   0.007256
    22  H   -0.031263  -0.050146   0.057477   0.019571  -0.013243  -0.002823
    23  H   -0.588206  -0.047189   0.038325   0.026532  -0.003384  -0.001702
    24  H   -0.487835   0.033467  -0.001201  -0.011432   0.002230   0.000262
    25  H    2.212386   0.042616  -0.068598  -0.010760  -0.001880  -0.000074
    26  H    0.042616   2.483950  -0.531287  -0.664303  -0.050087  -0.002655
    27  H   -0.068598  -0.531287   2.141236  -0.432868   0.019794  -0.001237
    28  H   -0.010760  -0.664303  -0.432868   2.212046   0.007142   0.000660
    29  C   -0.001880  -0.050087   0.019794   0.007142   6.241053   0.090192
    30  C   -0.000074  -0.002655  -0.001237   0.000660   0.090192   4.923813
    31  O   -0.000019  -0.003950  -0.000233   0.001028   0.286405  -0.111691
    32  H   -0.000140   0.000294  -0.000082   0.000168   0.006609   0.348501
    33  H   -0.000015  -0.000416   0.000128   0.000003   0.064258   0.118645
    34  H    0.000053  -0.000613   0.000070  -0.000095   0.004686   0.401216
              31         32         33         34
     1  C   -0.000975   0.003124   0.001920  -0.001982
     2  C    0.001807  -0.009268  -0.004823  -0.002412
     3  C   -0.013600   0.005745  -0.003432   0.003616
     4  C    0.038151  -0.020222   0.016461  -0.029985
     5  C   -0.006167  -0.005590   0.020769   0.021443
     6  C    0.067480   0.027861  -0.001453  -0.027346
     7  H    0.000484   0.000392  -0.000024   0.000677
     8  H   -0.002894  -0.000081   0.000867  -0.004207
     9  H    0.002702   0.002046  -0.005111   0.003253
    10  H   -0.000529  -0.000175  -0.000094   0.000371
    11  C    0.003912  -0.003396   0.002273  -0.004561
    12  H   -0.000226   0.000145  -0.000195   0.000490
    13  H    0.004186  -0.002456   0.001970   0.001505
    14  H    0.000904   0.001659  -0.004456  -0.007120
    15  H   -0.000548   0.002957  -0.004114   0.004507
    16  O   -0.085418  -0.131710   0.164638  -0.157800
    17  C    0.006212  -0.007955   0.000983   0.005484
    18  C    0.001015  -0.001217   0.000008  -0.000669
    19  C    0.007560   0.000787  -0.000446  -0.000958
    20  H    0.000211  -0.008352   0.000256   0.000609
    21  H   -0.000137   0.002618   0.000027   0.000828
    22  H    0.001233  -0.000879  -0.000360  -0.000867
    23  H    0.000282  -0.000403   0.000021  -0.000210
    24  H    0.000000   0.000103   0.000035  -0.000077
    25  H   -0.000019  -0.000140  -0.000015   0.000053
    26  H   -0.003950   0.000294  -0.000416  -0.000613
    27  H   -0.000233  -0.000082   0.000128   0.000070
    28  H    0.001028   0.000168   0.000003  -0.000095
    29  C    0.286405   0.006609   0.064258   0.004686
    30  C   -0.111691   0.348501   0.118645   0.401216
    31  O    8.280953   0.013425  -0.011080   0.015690
    32  H    0.013425   1.177022  -0.200291  -0.125729
    33  H   -0.011080  -0.200291   1.220557  -0.203187
    34  H    0.015690  -0.125729  -0.203187   1.168138
 Mulliken charges:
               1
     1  C    0.850779
     2  C    1.496731
     3  C    1.776029
     4  C    0.842379
     5  C    1.108418
     6  C   -0.893697
     7  H   -0.432100
     8  H   -0.425137
     9  H   -0.496985
    10  H   -0.630869
    11  C   -3.644207
    12  H   -0.841016
    13  H   -0.436907
    14  H   -0.526991
    15  H   -0.884241
    16  O   -0.503756
    17  C    1.596778
    18  C    1.873576
    19  C    1.828711
    20  H   -0.046132
    21  H   -0.161118
    22  H   -0.094010
    23  H   -0.327481
    24  H   -0.186366
    25  H   -0.150947
    26  H   -0.382330
    27  H   -0.182223
    28  H   -0.189588
    29  C    0.318598
    30  C    0.554926
    31  O   -0.496172
    32  H   -0.075508
    33  H   -0.174325
    34  H   -0.064819
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.006457
     2  C    0.368877
     3  C    0.935013
     4  C   -0.121519
     5  C    0.224177
     6  C   -0.893697
    11  C   -3.644207
    16  O   -0.503756
    17  C    1.295518
    18  C    1.208781
    19  C    1.074571
    29  C    0.318598
    30  C    0.240274
    31  O   -0.496172
 Electronic spatial extent (au):  <R**2>=           2853.9659
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0310    Y=             -1.7974    Z=              0.1175  Tot=              2.0754
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -85.3744   YY=            -90.7969   ZZ=            -85.8563
   XY=             -8.3222   XZ=              0.6155   YZ=              0.3032
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.9681   YY=             -3.4543   ZZ=              1.4862
   XY=             -8.3222   XZ=              0.6155   YZ=              0.3032
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             35.0776  YYY=             -3.1619  ZZZ=             -0.0037  XYY=             -6.4831
  XXY=            -27.9920  XXZ=              1.2753  XZZ=              8.9627  YZZ=              1.2429
  YYZ=              0.1386  XYZ=              2.3703
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2404.9050 YYYY=           -710.9883 ZZZZ=           -671.9547 XXXY=            -86.5669
 XXXZ=             18.4121 YYYX=            -11.3212 YYYZ=             -4.1526 ZZZX=             -2.0815
 ZZZY=              1.0350 XXYY=           -566.1770 XXZZ=           -516.2381 YYZZ=           -226.0524
 XXYZ=             -1.2627 YYXZ=              3.8425 ZZXY=             -3.6921
 N-N= 1.014886119732D+03 E-N=-3.471098541677D+03  KE= 6.158376133420D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 10 01:11:44 2021, MaxMem= 17179869184 cpu:               4.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.99881884D-01-6.82884299D-01 4.29922905D-02
 Polarizability= 1.58276184D+02-2.40980466D+00 1.33105099D+02
                -7.47736341D-01-3.61990215D-01 1.27567661D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3772    0.3774       -1.0722   -1.0713
 2     -0.3772   -0.3774        0.2215    0.2217      -12.8027  -12.8069
 3      1.0722    1.0713       15.7720   15.7739       -0.2201   -0.2217
 4     -0.2215   -0.2217        0.0000    0.0000        1.0707    1.0713
 5     -2.9693   -2.9669       -1.0707   -1.0713        0.3736    0.3774
 6      0.2201    0.2217       -0.3736   -0.3774        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.1322   -1.1322       -3.2140   -3.2140
 2     -0.6651   -0.6651        0.0000    0.0000       -3.2140   -3.2140
 3     -0.6651   -0.6651       -1.1322   -1.1322       -0.0000    0.0000
 4     -1.1322   -1.1322        0.6651    0.6651      -38.4208  -38.4208
 5      3.2140    3.2140       47.3216   47.3216       -0.6651   -0.6651
 6     -8.9008   -8.9008       -3.2140   -3.2140        1.1322    1.1322
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1661    0.0000       -1.6785   -1.5096        0.8820    4.2854
 2      1.8265    1.5096        0.3252   -0.8868       52.0644   51.2277
 3     -4.7701   -4.2854      -62.9190  -63.0955        0.5775    0.8868
 4      0.5308    0.8868       -0.2505    0.0000       -4.8542   -4.2854
 5     12.2169   11.8677        4.3872    4.2854       -1.2928   -1.5096
 6     -0.6569   -0.8868        1.1275    1.5096        0.1920    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2061    0.0000        4.5659    3.7681       -0.7760   -0.4806
 2     -3.2106   -3.7681      -27.5075  -26.2274       10.3547    8.9068
 3      1.7675    0.4806        8.2194    7.4678       36.5021   26.2274
 4     25.1697   26.2274       -0.3448    0.0000        0.0568    0.4806
 5    -16.9301  -16.3746        0.1514   -0.4806        1.2776    3.7681
 6    -25.3699  -26.2274       -4.1939   -3.7681        0.4642    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     11.1388   10.0441      -21.3726  -21.4776        7.0453    5.9830
 2     51.8772   51.7039      -11.6287  -11.8776        6.3054    5.9830
 3     51.4581   51.7039      -21.7821  -21.4776       11.2199   11.1109
 4     -8.8034   -9.6000      -42.8196  -41.6598       19.3983   18.1773
 5      6.2423    5.1278       12.5085   11.6831       50.2053   41.6598
 6    -31.2895  -29.8604       -3.4031   -5.1278        4.6412    9.6000
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7112   -3.4433   -0.0003    0.0004    0.0007    8.6356
 Low frequencies ---   40.5012   50.2144   73.1277
 Diagonal vibrational polarizability:
       23.6480820       5.0507442      43.4344238
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     40.4956                50.1465                73.1139
 Red. masses --      1.2950                 4.3860                 2.4626
 Frc consts  --      0.0013                 0.0065                 0.0078
 IR Inten    --      1.9027                 0.3207                 1.2786
 RamAct Fr= 1--      0.4924                 0.8667                 0.1634
  Dep-P Fr= 1--      0.7454                 0.7177                 0.7500
  Dep-U Fr= 1--      0.8542                 0.8357                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0701                 0.1207                 0.0233
 AlphaG Fr= 1--      0.0002                 0.0017                -0.0000
 Gamma2 Fr= 1--      0.0324                 0.0315                 0.0063
 Delta2 Fr= 1--      0.0261                 0.0465                -0.0173
 Raman1 Fr= 1--       1.970                  3.467                  0.654
 ROA1   Fr= 1--       3.946                  4.509                  0.057
 CID1   Fr= 1--       2.004                  1.301                  0.087
 Raman2 Fr= 1--       0.841                  1.449                  0.280
 ROA2   Fr= 1--       0.569                  0.383                  0.290
 CID2   Fr= 1--       0.677                  0.264                  1.036
 Raman3 Fr= 1--       1.682                  2.897                  0.560
 ROA3   Fr= 1--       3.946                  4.509                  0.057
 CID3   Fr= 1--       2.346                  1.556                  0.102
 RC180  Fr= 1--       0.708                  0.671                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.02    -0.15  -0.04  -0.01     0.10  -0.02   0.03
     2   6     0.00   0.00  -0.02    -0.04  -0.02  -0.04     0.03   0.01   0.06
     3   6     0.00   0.02   0.01    -0.10  -0.03  -0.03     0.01  -0.02  -0.00
     4   6     0.00   0.01   0.01    -0.07  -0.06  -0.13    -0.02   0.06   0.02
     5   6     0.00  -0.00   0.01     0.00  -0.02  -0.14    -0.00   0.04   0.01
     6   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.06     0.00   0.04   0.02
     7   1    -0.00   0.03  -0.02    -0.18  -0.02   0.09     0.14  -0.07  -0.03
     8   1    -0.00   0.03  -0.02    -0.22  -0.07  -0.07     0.16   0.01   0.07
     9   1     0.00   0.01  -0.03    -0.04  -0.02  -0.11     0.03   0.00   0.11
    10   1     0.00  -0.00  -0.03    -0.00  -0.01   0.03     0.01   0.04   0.05
    11   6     0.00   0.00   0.01     0.01   0.01   0.01    -0.02  -0.01  -0.01
    12   1     0.00   0.03   0.01    -0.13  -0.03   0.01    -0.00  -0.06  -0.02
    13   1     0.01   0.02   0.03    -0.05  -0.07  -0.18    -0.10   0.07   0.06
    14   1     0.00   0.02   0.01    -0.13  -0.11  -0.15     0.01   0.13   0.01
    15   1    -0.00  -0.01   0.02     0.03  -0.00  -0.18     0.03   0.03   0.02
    16   8     0.00  -0.00   0.01     0.01  -0.01  -0.18    -0.02   0.01  -0.06
    17   6    -0.00  -0.03  -0.01     0.13   0.01  -0.06    -0.01   0.09   0.03
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.12    -0.00  -0.06  -0.04
    19   6     0.00  -0.01   0.03     0.07   0.02  -0.02    -0.08  -0.01  -0.03
    20   1    -0.00  -0.04  -0.02     0.15   0.00  -0.11     0.01   0.13   0.06
    21   1    -0.00  -0.04  -0.02     0.15   0.03   0.01     0.01   0.07   0.04
    22   1    -0.00  -0.04   0.01     0.18   0.02  -0.07    -0.04   0.11  -0.00
    23   1     0.00   0.00  -0.01    -0.02   0.02   0.19     0.02  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.02   0.01   0.14    -0.02  -0.04  -0.00
    25   1    -0.00  -0.01  -0.00     0.08   0.09   0.14     0.00  -0.13  -0.04
    26   1     0.00  -0.00   0.03     0.05   0.01  -0.14    -0.06  -0.02   0.09
    27   1     0.01  -0.02   0.03     0.19   0.05   0.01    -0.21  -0.02  -0.06
    28   1    -0.00  -0.00   0.04     0.01   0.00   0.06    -0.02  -0.01  -0.12
    29   6    -0.00  -0.00  -0.02     0.02   0.02   0.08     0.00  -0.03  -0.01
    30   6     0.00   0.01   0.09     0.02   0.03   0.13    -0.04  -0.09  -0.17
    31   8    -0.01  -0.01  -0.10     0.03   0.04   0.27     0.06  -0.01   0.16
    32   1     0.24   0.45   0.38     0.10   0.22   0.25     0.20   0.14  -0.01
    33   1    -0.01  -0.03  -0.39     0.02   0.02  -0.03    -0.03  -0.17  -0.56
    34   1    -0.22  -0.39   0.45    -0.05  -0.14   0.29    -0.35  -0.29   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.9674               148.6003               195.9384
 Red. masses --      2.9928                 1.6114                 1.5228
 Frc consts  --      0.0166                 0.0210                 0.0344
 IR Inten    --      1.5086                 1.5029                 0.4664
 RamAct Fr= 1--      0.1443                 0.1169                 0.2899
  Dep-P Fr= 1--      0.7336                 0.5120                 0.6254
  Dep-U Fr= 1--      0.8463                 0.6773                 0.7695
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0007
 Beta2  Fr= 1--      0.0204                 0.0132                 0.0372
 AlphaG Fr= 1--      0.0001                 0.0004                -0.0030
 Gamma2 Fr= 1--      0.0222                -0.1716                -0.0577
 Delta2 Fr= 1--      0.0523                -0.0159                -0.0204
 Raman1 Fr= 1--       0.577                  0.467                  1.160
 ROA1   Fr= 1--       3.803                -16.984                 -6.196
 CID1   Fr= 1--       6.589                -36.336                 -5.343
 Raman2 Fr= 1--       0.244                  0.158                  0.446
 ROA2   Fr= 1--       0.114                 -3.991                 -1.222
 CID2   Fr= 1--       0.469                -25.218                 -2.739
 Raman3 Fr= 1--       0.489                  0.317                  0.892
 ROA3   Fr= 1--       3.803                -16.984                 -6.196
 CID3   Fr= 1--       7.785                -53.651                 -6.943
 RC180  Fr= 1--       0.693                  0.355                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.01    -0.06   0.01  -0.01    -0.03  -0.00  -0.03
     2   6     0.06   0.04  -0.01     0.06   0.02  -0.04     0.02   0.01  -0.04
     3   6    -0.05   0.02   0.00    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
     4   6    -0.07   0.10  -0.02     0.01  -0.03  -0.01     0.01  -0.03  -0.01
     5   6    -0.01   0.08  -0.05    -0.01   0.05   0.02    -0.01   0.02   0.02
     6   6     0.02   0.04  -0.01     0.00   0.02  -0.01    -0.00  -0.00  -0.01
     7   1     0.07  -0.02  -0.03    -0.10   0.03   0.09    -0.04  -0.00   0.00
     8   1     0.07   0.08  -0.00    -0.14  -0.02  -0.07    -0.06  -0.00  -0.05
     9   1     0.07   0.06  -0.01     0.10   0.11  -0.10     0.03   0.03  -0.06
    10   1     0.07   0.03  -0.01     0.15  -0.05  -0.02     0.04  -0.02  -0.03
    11   6    -0.03  -0.02   0.02    -0.01  -0.00  -0.00    -0.00   0.00  -0.01
    12   1    -0.09  -0.01   0.02    -0.00   0.03   0.00     0.00   0.01  -0.01
    13   1    -0.14   0.11   0.02     0.05  -0.04  -0.09     0.03  -0.04  -0.06
    14   1    -0.07   0.17  -0.06     0.00  -0.10   0.02     0.00  -0.08   0.02
    15   1     0.02   0.07  -0.04    -0.06   0.08  -0.00    -0.06   0.04   0.00
    16   8    -0.03   0.04  -0.07    -0.00   0.07   0.09    -0.00   0.04   0.09
    17   6     0.09   0.06  -0.01    -0.02  -0.04  -0.02     0.00  -0.06  -0.02
    18   6     0.01  -0.11   0.03     0.01  -0.04   0.03     0.02  -0.00   0.10
    19   6    -0.11  -0.04   0.04    -0.03   0.00  -0.03     0.00   0.03  -0.08
    20   1     0.13   0.11  -0.04    -0.02  -0.04  -0.02     0.13   0.14  -0.02
    21   1     0.13   0.00   0.02    -0.02  -0.06  -0.06     0.13  -0.28  -0.07
    22   1     0.05   0.06  -0.02    -0.04  -0.06   0.02    -0.24  -0.07   0.02
    23   1     0.05  -0.09  -0.06     0.13  -0.14   0.37    -0.09   0.09  -0.21
    24   1    -0.04  -0.10   0.11     0.04  -0.28  -0.23    -0.10   0.20   0.44
    25   1     0.05  -0.21   0.05    -0.11   0.28  -0.02     0.27  -0.31   0.19
    26   1    -0.12  -0.01   0.11    -0.14   0.11  -0.34     0.07  -0.04   0.07
    27   1    -0.17  -0.07   0.03     0.28   0.02   0.04    -0.22   0.11  -0.14
    28   1    -0.10  -0.05   0.01    -0.26  -0.12   0.18     0.15   0.06  -0.28
    29   6     0.02  -0.04  -0.01     0.02   0.01   0.02     0.00   0.02   0.03
    30   6    -0.06  -0.13   0.19    -0.04  -0.06  -0.04    -0.03  -0.02  -0.02
    31   8     0.11  -0.06  -0.09     0.08   0.01   0.00     0.03   0.01  -0.00
    32   1    -0.35  -0.25   0.10    -0.01  -0.05  -0.03    -0.01  -0.03  -0.02
    33   1    -0.00  -0.19   0.50    -0.00  -0.13  -0.12    -0.01  -0.06  -0.07
    34   1     0.11  -0.01   0.07    -0.15  -0.07  -0.03    -0.10  -0.02  -0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.6226               223.4060               235.2566
 Red. masses --      1.2783                 1.2787                 2.3707
 Frc consts  --      0.0363                 0.0376                 0.0773
 IR Inten    --      0.1986                 1.7709                 0.5074
 RamAct Fr= 1--      0.5453                 0.5212                 0.3070
  Dep-P Fr= 1--      0.3160                 0.1615                 0.7230
  Dep-U Fr= 1--      0.4803                 0.2781                 0.8393
 Alpha2 Fr= 1--      0.0053                 0.0078                 0.0001
 Beta2  Fr= 1--      0.0436                 0.0242                 0.0429
 AlphaG Fr= 1--     -0.0007                -0.0080                 0.0009
 Gamma2 Fr= 1--      0.0252                -0.0594                 0.3053
 Delta2 Fr= 1--      0.1682                 0.0316                -0.0018
 Raman1 Fr= 1--       2.181                  2.085                  1.228
 ROA1   Fr= 1--       7.803                 -4.695                 29.249
 CID1   Fr= 1--       3.578                 -2.252                 23.822
 Raman2 Fr= 1--       0.524                  0.290                  0.515
 ROA2   Fr= 1--      -0.740                 -1.679                  7.341
 CID2   Fr= 1--      -1.412                 -5.792                 14.248
 Raman3 Fr= 1--       1.047                  0.580                  1.030
 ROA3   Fr= 1--       7.803                 -4.695                 29.249
 CID3   Fr= 1--       7.450                 -8.098                 28.384
 RC180  Fr= 1--      -0.039                 -0.444                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.01    -0.04  -0.01   0.01    -0.04   0.01   0.00
     2   6    -0.01  -0.01   0.01    -0.02  -0.00   0.00    -0.01   0.01  -0.00
     3   6     0.01  -0.01  -0.03    -0.02  -0.01  -0.00     0.01   0.01   0.00
     4   6     0.01  -0.01  -0.03    -0.01  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.02   0.01  -0.01     0.00   0.01  -0.00    -0.02   0.01  -0.00
     6   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.01   0.00  -0.00
     7   1     0.08  -0.04  -0.07    -0.05  -0.01   0.02    -0.06   0.03   0.03
     8   1     0.11   0.00   0.03    -0.06  -0.03  -0.00    -0.07  -0.02  -0.01
     9   1    -0.03  -0.04   0.06    -0.02   0.00  -0.01    -0.01   0.00  -0.03
    10   1    -0.06   0.04   0.01    -0.01   0.00   0.02    -0.00   0.01   0.01
    11   6     0.00  -0.00  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.01
    12   1     0.02  -0.03  -0.04    -0.01  -0.00  -0.00     0.01   0.03   0.02
    13   1     0.03  -0.01  -0.05     0.00  -0.03  -0.05     0.07  -0.04  -0.06
    14   1     0.02  -0.04  -0.01    -0.02  -0.06  -0.01     0.02  -0.09  -0.00
    15   1    -0.05   0.03  -0.02    -0.03   0.03  -0.02    -0.05   0.03  -0.02
    16   8    -0.03   0.01   0.04     0.03   0.05   0.03    -0.04   0.01   0.11
    17   6     0.04   0.03  -0.01    -0.03  -0.02  -0.01     0.26  -0.01  -0.01
    18   6     0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.03   0.02  -0.12
    19   6     0.04  -0.02   0.05    -0.03  -0.01   0.02    -0.03  -0.00   0.02
    20   1     0.04  -0.00  -0.05    -0.31  -0.47  -0.06     0.32  -0.03  -0.21
    21   1     0.04   0.07   0.05    -0.30   0.43   0.04     0.32   0.01   0.18
    22   1     0.12   0.04  -0.02     0.48  -0.04   0.00     0.41  -0.01  -0.01
    23   1    -0.09   0.09  -0.31    -0.05   0.03  -0.16     0.01  -0.01  -0.03
    24   1    -0.04   0.21   0.23    -0.03   0.09   0.10     0.06  -0.03  -0.28
    25   1     0.14  -0.28   0.04     0.04  -0.15   0.01    -0.18   0.11  -0.16
    26   1    -0.07   0.08  -0.30     0.01  -0.04   0.13     0.04  -0.06   0.26
    27   1     0.47  -0.09   0.15    -0.14  -0.03  -0.01    -0.29  -0.02  -0.05
    28   1    -0.23  -0.09   0.39     0.05   0.03  -0.06     0.14   0.07  -0.17
    29   6    -0.03   0.01   0.02     0.04   0.03   0.01    -0.05   0.00   0.04
    30   6    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.06  -0.02  -0.02
    31   8    -0.03   0.00   0.00     0.08   0.02  -0.01    -0.06  -0.00   0.00
    32   1    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.03  -0.03  -0.03
    33   1    -0.04  -0.04  -0.03     0.03  -0.04  -0.02    -0.05  -0.04  -0.07
    34   1    -0.09  -0.01  -0.01    -0.02  -0.00  -0.01    -0.13  -0.00  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    238.8776               243.1688               269.2593
 Red. masses --      2.2718                 2.9298                 2.3808
 Frc consts  --      0.0764                 0.1021                 0.1017
 IR Inten    --      1.8389                 1.3385                 0.3496
 RamAct Fr= 1--      1.4462                 0.4328                 2.1663
  Dep-P Fr= 1--      0.2684                 0.7473                 0.1838
  Dep-U Fr= 1--      0.4232                 0.8553                 0.3106
 Alpha2 Fr= 1--      0.0163                 0.0000                 0.0307
 Beta2  Fr= 1--      0.1020                 0.0617                 0.1121
 AlphaG Fr= 1--     -0.0147                 0.0001                 0.0182
 Gamma2 Fr= 1--     -0.3294                 0.0549                -0.0604
 Delta2 Fr= 1--     -0.1883                 0.0897                -0.1271
 Raman1 Fr= 1--       5.785                  1.731                  8.665
 ROA1   Fr= 1--     -37.648                  8.138                 -9.866
 CID1   Fr= 1--      -6.508                  4.700                 -1.139
 Raman2 Fr= 1--       1.224                  0.740                  1.346
 ROA2   Fr= 1--      -6.400                  0.600                 -0.433
 CID2   Fr= 1--      -5.228                  0.810                 -0.322
 Raman3 Fr= 1--       2.448                  1.481                  2.691
 ROA3   Fr= 1--     -37.648                  8.138                 -9.866
 CID3   Fr= 1--     -15.378                  5.495                 -3.666
 RC180  Fr= 1--      -0.154                  0.711                 -0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03   0.03    -0.11   0.08  -0.04    -0.00  -0.01  -0.03
     2   6    -0.04  -0.02   0.02    -0.05   0.04  -0.05     0.12  -0.00  -0.06
     3   6    -0.03  -0.02   0.00     0.01   0.08  -0.01     0.00  -0.01  -0.03
     4   6    -0.01  -0.06  -0.04     0.07  -0.05  -0.01     0.01  -0.02  -0.05
     5   6     0.00  -0.00  -0.02     0.04  -0.04  -0.01    -0.01   0.01  -0.02
     6   6    -0.02  -0.02  -0.00     0.00   0.03  -0.02     0.02  -0.00  -0.04
     7   1    -0.11  -0.00   0.07    -0.16   0.15   0.02    -0.03  -0.01   0.07
     8   1    -0.13  -0.07   0.00    -0.18   0.03  -0.08    -0.08  -0.01  -0.09
     9   1    -0.05  -0.04  -0.01    -0.05   0.05  -0.12     0.18   0.12  -0.13
    10   1    -0.04  -0.01   0.05    -0.02   0.02  -0.04     0.23  -0.11  -0.05
    11   6    -0.02  -0.01   0.00    -0.01   0.02  -0.01     0.04  -0.02  -0.01
    12   1    -0.03  -0.01   0.00     0.05   0.15   0.01    -0.01  -0.01  -0.01
    13   1     0.02  -0.07  -0.09     0.18  -0.05  -0.03     0.02  -0.02  -0.07
    14   1    -0.03  -0.12  -0.02     0.02  -0.13  -0.02     0.01  -0.05  -0.03
    15   1    -0.04   0.03  -0.05     0.05  -0.03  -0.03    -0.01   0.03  -0.04
    16   8     0.05   0.06   0.01     0.04  -0.09   0.07    -0.04   0.01   0.03
    17   6    -0.04   0.04   0.01     0.00   0.17  -0.00    -0.09   0.13  -0.02
    18   6    -0.07   0.04  -0.13     0.06  -0.14   0.02     0.06  -0.03   0.04
    19   6     0.01  -0.06   0.14    -0.15  -0.01   0.03     0.14  -0.06   0.12
    20   1     0.15   0.38   0.11     0.01   0.23   0.08    -0.16   0.09   0.13
    21   1     0.14  -0.27  -0.04     0.01   0.20   0.07    -0.16   0.24  -0.03
    22   1    -0.44   0.07  -0.03    -0.02   0.25  -0.13    -0.06   0.19  -0.13
    23   1    -0.12   0.07  -0.24     0.12  -0.10  -0.09     0.10  -0.06   0.15
    24   1     0.02   0.15  -0.15    -0.05  -0.14   0.16     0.04  -0.11  -0.01
    25   1    -0.15  -0.05  -0.15     0.16  -0.29   0.06     0.06   0.06   0.03
    26   1     0.04  -0.08   0.24    -0.21   0.08  -0.01     0.25  -0.18   0.39
    27   1    -0.01  -0.19   0.14    -0.11  -0.05   0.04    -0.08  -0.16   0.06
    28   1     0.05   0.03   0.20    -0.23  -0.09   0.07     0.33   0.13   0.02
    29   6     0.07   0.04  -0.00     0.02  -0.07   0.03    -0.06   0.01   0.02
    30   6     0.04  -0.00  -0.01     0.12   0.04  -0.02    -0.10  -0.03  -0.00
    31   8     0.13   0.03  -0.01    -0.05  -0.06   0.01    -0.08   0.01   0.01
    32   1     0.03  -0.00  -0.01     0.25   0.03  -0.03    -0.12  -0.03  -0.00
    33   1     0.06  -0.03  -0.02     0.05   0.16  -0.07    -0.07  -0.09  -0.01
    34   1     0.01   0.00  -0.01     0.17   0.04  -0.03    -0.16  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    332.2799               349.7798               364.8409
 Red. masses --      2.1932                 2.8499                 2.3566
 Frc consts  --      0.1427                 0.2054                 0.1848
 IR Inten    --      1.6606                 0.9421                 0.6162
 RamAct Fr= 1--      0.7697                 1.0968                 0.1903
  Dep-P Fr= 1--      0.2048                 0.3000                 0.6587
  Dep-U Fr= 1--      0.3400                 0.4615                 0.7943
 Alpha2 Fr= 1--      0.0103                 0.0112                 0.0003
 Beta2  Fr= 1--      0.0436                 0.0844                 0.0252
 AlphaG Fr= 1--      0.0265                -0.0060                 0.0010
 Gamma2 Fr= 1--     -0.2079                 0.7358                -0.0612
 Delta2 Fr= 1--     -0.0134                 0.3468                -0.1131
 Raman1 Fr= 1--       3.079                  4.387                  0.761
 ROA1   Fr= 1--     -20.385                 81.734                 -9.497
 CID1   Fr= 1--      -6.621                 18.630                -12.475
 Raman2 Fr= 1--       0.523                  1.012                  0.302
 ROA2   Fr= 1--      -4.882                 14.884                 -0.564
 CID2   Fr= 1--      -9.327                 14.702                 -1.865
 Raman3 Fr= 1--       1.047                  2.025                  0.605
 ROA3   Fr= 1--     -20.385                 81.734                 -9.497
 CID3   Fr= 1--     -19.473                 40.367                -15.707
 RC180  Fr= 1--      -0.320                 -0.077                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.09     0.05  -0.03  -0.03    -0.09   0.04  -0.02
     2   6     0.17   0.07   0.03     0.16   0.00  -0.06     0.03  -0.06  -0.08
     3   6     0.00   0.00   0.03    -0.08  -0.04  -0.01     0.00   0.01   0.06
     4   6     0.02  -0.04  -0.02    -0.11   0.05   0.01    -0.01   0.03   0.13
     5   6     0.03   0.04   0.00    -0.03   0.02  -0.00    -0.01  -0.05   0.08
     6   6     0.03   0.07   0.04    -0.02  -0.00  -0.02     0.00  -0.10   0.03
     7   1    -0.14   0.01   0.30     0.08  -0.13   0.02    -0.16   0.12   0.07
     8   1    -0.24  -0.09  -0.03     0.03   0.06  -0.08    -0.21   0.01  -0.12
     9   1     0.26   0.27  -0.08     0.25   0.18  -0.10     0.08   0.03  -0.21
    10   1     0.36  -0.09   0.10     0.29  -0.14  -0.08     0.13  -0.18  -0.11
    11   6     0.02   0.04   0.02    -0.07  -0.03  -0.01     0.00  -0.06   0.03
    12   1     0.00  -0.01   0.02    -0.10  -0.08  -0.02     0.01   0.09   0.11
    13   1     0.05  -0.05  -0.10    -0.21   0.06   0.08    -0.04   0.03   0.18
    14   1     0.00  -0.12   0.01    -0.09   0.17  -0.05     0.01   0.10   0.11
    15   1     0.11   0.05  -0.04    -0.02   0.02  -0.00    -0.02  -0.11   0.16
    16   8    -0.02  -0.04  -0.08    -0.01  -0.03   0.09     0.02   0.01  -0.05
    17   6    -0.03  -0.08   0.02     0.03   0.05  -0.02     0.03   0.09   0.08
    18   6     0.02   0.01  -0.11    -0.15   0.12   0.03    -0.03  -0.02  -0.07
    19   6    -0.04   0.05   0.00     0.01  -0.02  -0.01     0.07  -0.02  -0.12
    20   1    -0.05  -0.14  -0.01     0.02   0.03  -0.04     0.03   0.13   0.16
    21   1    -0.05  -0.13  -0.11     0.02   0.10   0.06     0.03   0.20   0.23
    22   1    -0.06  -0.16   0.16     0.11   0.08  -0.08     0.09   0.21  -0.12
    23   1     0.01   0.08  -0.36    -0.29   0.12   0.02    -0.08   0.03  -0.21
    24   1     0.03   0.16   0.01    -0.09   0.23   0.05     0.02   0.11  -0.02
    25   1     0.00  -0.25  -0.10    -0.12   0.16   0.04    -0.07  -0.15  -0.07
    26   1    -0.07   0.09  -0.05     0.01  -0.05  -0.04     0.06  -0.05  -0.32
    27   1     0.01   0.05   0.02     0.06  -0.02   0.01     0.19   0.17  -0.10
    28   1    -0.09  -0.00   0.03    -0.01   0.01   0.04     0.03  -0.09  -0.13
    29   6    -0.03  -0.03  -0.03     0.02  -0.08   0.05     0.01   0.04  -0.03
    30   6    -0.01   0.00   0.01     0.14   0.04  -0.02    -0.05  -0.02   0.01
    31   8    -0.07  -0.03   0.02     0.02  -0.09   0.00     0.02   0.04  -0.00
    32   1    -0.02   0.02   0.02     0.33   0.01  -0.03    -0.14  -0.00   0.02
    33   1    -0.02   0.03   0.04     0.03   0.23  -0.08     0.00  -0.10   0.05
    34   1     0.05  -0.01   0.02     0.23   0.06  -0.04    -0.07  -0.03   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    404.1479               432.5107               475.9392
 Red. masses --      2.5491                 2.0021                 2.6144
 Frc consts  --      0.2453                 0.2207                 0.3489
 IR Inten    --      0.3012                 0.1368                 1.1013
 RamAct Fr= 1--      0.3994                 0.1757                 1.0216
  Dep-P Fr= 1--      0.7014                 0.4278                 0.7468
  Dep-U Fr= 1--      0.8245                 0.5992                 0.8550
 Alpha2 Fr= 1--      0.0003                 0.0012                 0.0001
 Beta2  Fr= 1--      0.0549                 0.0175                 0.1456
 AlphaG Fr= 1--     -0.0008                 0.0014                -0.0014
 Gamma2 Fr= 1--      0.2341                -0.1339                -0.4945
 Delta2 Fr= 1--      0.3325                -0.1296                -0.6478
 Raman1 Fr= 1--       1.598                  0.703                  4.086
 ROA1   Fr= 1--      33.117                -16.996                -68.199
 CID1   Fr= 1--      20.730                -24.182                -16.689
 Raman2 Fr= 1--       0.659                  0.211                  1.747
 ROA2   Fr= 1--       2.959                 -2.176                 -6.685
 CID2   Fr= 1--       4.493                -10.333                 -3.827
 Raman3 Fr= 1--       1.317                  0.421                  3.494
 ROA3   Fr= 1--      33.117                -16.996                -68.199
 CID3   Fr= 1--      25.142                -40.355                -19.519
 RC180  Fr= 1--       0.649                  0.198                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.03    -0.11  -0.09   0.05     0.00   0.01  -0.01
     2   6    -0.07   0.04   0.04    -0.03  -0.04   0.03    -0.00   0.07   0.02
     3   6    -0.08   0.01   0.01     0.08  -0.05  -0.07     0.08   0.01  -0.07
     4   6    -0.10   0.08  -0.02     0.01   0.14   0.06     0.11  -0.05   0.08
     5   6    -0.03   0.05  -0.01     0.02   0.03   0.03    -0.05   0.06   0.09
     6   6    -0.01   0.05   0.01     0.01   0.01  -0.05    -0.11   0.06   0.02
     7   1    -0.03  -0.02  -0.01    -0.25   0.09   0.24    -0.06   0.08   0.07
     8   1    -0.02   0.02   0.06    -0.28  -0.32  -0.03    -0.06  -0.12  -0.02
     9   1    -0.09  -0.01   0.05    -0.04  -0.04  -0.01     0.03   0.14   0.05
    10   1    -0.09   0.09   0.08    -0.01  -0.00   0.14     0.04   0.01   0.00
    11   6    -0.01   0.01   0.01     0.04   0.00  -0.09    -0.10  -0.01  -0.09
    12   1    -0.13  -0.01   0.05     0.12  -0.08  -0.13     0.21   0.03  -0.16
    13   1    -0.18   0.08   0.03    -0.27   0.17   0.26     0.24  -0.07  -0.12
    14   1    -0.10   0.16  -0.06     0.16   0.46   0.01     0.17  -0.26   0.25
    15   1    -0.01   0.06  -0.03     0.00  -0.02   0.10     0.01   0.01   0.13
    16   8    -0.04   0.01   0.06    -0.00   0.00   0.02    -0.07   0.02  -0.09
    17   6    -0.01  -0.02  -0.00     0.01  -0.00  -0.07     0.03  -0.00   0.01
    18   6     0.07  -0.16  -0.09     0.05   0.04   0.01    -0.10  -0.07   0.05
    19   6     0.19   0.03  -0.05    -0.02  -0.04   0.01     0.06  -0.06   0.00
    20   1    -0.00  -0.04  -0.05     0.02  -0.00  -0.10     0.09  -0.01  -0.19
    21   1    -0.00  -0.06  -0.04     0.02  -0.02  -0.07     0.10  -0.04   0.13
    22   1    -0.01  -0.07   0.07     0.01  -0.02  -0.04     0.13  -0.04   0.07
    23   1     0.28  -0.15  -0.16    -0.02   0.03   0.06    -0.08  -0.10   0.15
    24   1     0.02  -0.27  -0.13     0.01   0.05   0.08    -0.22  -0.15   0.12
    25   1    -0.04  -0.30  -0.11     0.17   0.08   0.04     0.05  -0.00   0.09
    26   1     0.28  -0.14  -0.13    -0.07   0.05   0.08     0.17  -0.22   0.05
    27   1     0.26   0.14  -0.03    -0.02  -0.18   0.01     0.10  -0.13   0.01
    28   1     0.27   0.15  -0.04    -0.07  -0.04   0.08     0.16   0.16   0.08
    29   6    -0.01  -0.05   0.04    -0.00  -0.01   0.01    -0.04  -0.03  -0.07
    30   6     0.07   0.03  -0.01     0.00  -0.00  -0.00     0.01   0.05   0.00
    31   8     0.03  -0.05  -0.00    -0.01  -0.01  -0.00     0.07  -0.03   0.02
    32   1     0.20   0.01  -0.02     0.02  -0.01  -0.00     0.02   0.10   0.03
    33   1    -0.01   0.16  -0.05    -0.00   0.01  -0.01    -0.06   0.18   0.06
    34   1     0.12   0.05  -0.03    -0.00   0.01  -0.01     0.19  -0.00   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    515.3474               527.4292               583.7146
 Red. masses --      3.1022                 3.0514                 4.0219
 Frc consts  --      0.4854                 0.5001                 0.8074
 IR Inten    --      2.7768                 2.1562                 1.2722
 RamAct Fr= 1--      1.6611                 1.9955                 1.9685
  Dep-P Fr= 1--      0.6832                 0.1378                 0.4561
  Dep-U Fr= 1--      0.8118                 0.2422                 0.6264
 Alpha2 Fr= 1--      0.0020                 0.0318                 0.0118
 Beta2  Fr= 1--      0.2247                 0.0805                 0.2055
 AlphaG Fr= 1--     -0.0012                 0.0156                 0.0123
 Gamma2 Fr= 1--      0.0562                -0.0863                 0.0675
 Delta2 Fr= 1--      0.1219                -0.0965                -0.0565
 Raman1 Fr= 1--       6.644                  7.982                  7.874
 ROA1   Fr= 1--       9.292                -11.375                  4.667
 CID1   Fr= 1--       1.399                 -1.425                  0.593
 Raman2 Fr= 1--       2.697                  0.967                  2.466
 ROA2   Fr= 1--       0.372                 -1.299                  2.071
 CID2   Fr= 1--       0.138                 -1.344                  0.840
 Raman3 Fr= 1--       5.394                  1.933                  4.933
 ROA3   Fr= 1--       9.292                -11.375                  4.667
 CID3   Fr= 1--       1.723                 -5.884                  0.946
 RC180  Fr= 1--       0.624                 -0.516                  0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08  -0.04     0.02  -0.02   0.03     0.06   0.08   0.21
     2   6     0.02  -0.09  -0.05     0.03   0.04   0.03     0.05  -0.15   0.10
     3   6    -0.01  -0.05  -0.03    -0.04  -0.00  -0.03     0.08   0.14   0.08
     4   6    -0.05  -0.06   0.05    -0.02  -0.01   0.05     0.11   0.10  -0.10
     5   6    -0.11  -0.08   0.04     0.06  -0.12  -0.01    -0.05  -0.10  -0.13
     6   6    -0.10  -0.07   0.00    -0.07   0.04  -0.04    -0.05  -0.12  -0.07
     7   1     0.06  -0.13  -0.11     0.04  -0.08   0.03    -0.04   0.25   0.28
     8   1     0.07  -0.00  -0.02     0.04  -0.01   0.05    -0.08  -0.02   0.12
     9   1     0.13   0.12  -0.07     0.11   0.19   0.05     0.12  -0.01   0.07
    10   1     0.17  -0.28  -0.11     0.14  -0.07   0.03     0.12  -0.27   0.03
    11   6     0.02   0.14  -0.02    -0.13   0.09  -0.05    -0.03   0.00   0.04
    12   1     0.03  -0.08  -0.09     0.06  -0.05  -0.14     0.02  -0.01   0.03
    13   1    -0.10  -0.05   0.11    -0.07   0.01   0.22     0.30   0.10  -0.02
    14   1     0.03   0.01   0.08    -0.03   0.16  -0.06    -0.03   0.01  -0.16
    15   1    -0.17  -0.10   0.08     0.09  -0.13  -0.00    -0.19  -0.13  -0.05
    16   8    -0.06   0.01  -0.02     0.15  -0.08   0.02    -0.06  -0.01  -0.01
    17   6     0.01   0.01   0.02     0.01   0.01  -0.08    -0.02  -0.00  -0.13
    18   6     0.15   0.02  -0.03    -0.11  -0.08   0.01    -0.08  -0.04   0.02
    19   6    -0.04   0.21   0.09     0.02   0.11   0.03    -0.00   0.03  -0.00
    20   1     0.08   0.06  -0.05     0.06   0.02  -0.20    -0.02   0.01  -0.08
    21   1     0.07   0.02   0.21     0.06  -0.04  -0.01    -0.02   0.02  -0.09
    22   1     0.08   0.06  -0.07     0.05  -0.02  -0.03    -0.02   0.04  -0.20
    23   1     0.39   0.02  -0.05     0.07  -0.09   0.02    -0.05  -0.04   0.01
    24   1     0.03  -0.14  -0.02    -0.24  -0.23   0.04    -0.11  -0.05   0.06
    25   1     0.15  -0.08  -0.03    -0.06  -0.14   0.03    -0.04  -0.07   0.03
    26   1    -0.08   0.30   0.17     0.12  -0.05   0.02     0.01  -0.01  -0.10
    27   1    -0.08   0.08   0.08     0.12   0.07   0.05    -0.00   0.20  -0.01
    28   1    -0.08   0.18   0.12     0.08   0.30   0.13     0.02  -0.02  -0.09
    29   6    -0.04  -0.01  -0.03     0.10   0.08   0.02    -0.05   0.01   0.09
    30   6    -0.01   0.05  -0.00     0.01  -0.08   0.01    -0.06   0.07  -0.00
    31   8     0.10  -0.01   0.00    -0.08   0.09  -0.02     0.10  -0.02  -0.04
    32   1     0.03   0.07   0.01    -0.16  -0.10  -0.01     0.13  -0.02  -0.06
    33   1    -0.07   0.16   0.01     0.17  -0.36  -0.00    -0.13   0.17  -0.11
    34   1     0.09   0.03   0.01    -0.23  -0.05   0.00    -0.13   0.16  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    594.1335               620.7999               643.4786
 Red. masses --      3.2791                 2.8896                 4.2901
 Frc consts  --      0.6820                 0.6561                 1.0466
 IR Inten    --      1.0149                 3.8869                 3.4528
 RamAct Fr= 1--      3.5847                 0.8603                18.1042
  Dep-P Fr= 1--      0.3583                 0.0894                 0.0236
  Dep-U Fr= 1--      0.5276                 0.1641                 0.0462
 Alpha2 Fr= 1--      0.0306                 0.0155                 0.3806
 Beta2  Fr= 1--      0.3152                 0.0235                 0.1394
 AlphaG Fr= 1--      0.0111                -0.0241                -0.0991
 Gamma2 Fr= 1--      0.4232                -0.2259                -0.8918
 Delta2 Fr= 1--      0.5220                -0.0984                -0.2264
 Raman1 Fr= 1--      14.339                  3.441                 72.417
 ROA1   Fr= 1--      57.332                -24.836                -92.863
 CID1   Fr= 1--       3.998                 -7.217                 -1.282
 Raman2 Fr= 1--       3.782                  0.282                  1.673
 ROA2   Fr= 1--       5.981                 -4.635                -19.593
 CID2   Fr= 1--       1.581                -16.414                -11.712
 Raman3 Fr= 1--       7.565                  0.565                  3.346
 ROA3   Fr= 1--      57.332                -24.836                -92.863
 CID3   Fr= 1--       7.579                -43.975                -27.756
 RC180  Fr= 1--       0.055                 -0.672                 -0.908
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.03    -0.01  -0.04  -0.04    -0.00   0.06   0.03
     2   6    -0.00   0.05   0.01    -0.01   0.03  -0.03     0.02   0.17   0.06
     3   6     0.02   0.04  -0.13    -0.01  -0.05   0.03    -0.10   0.01   0.02
     4   6    -0.02   0.04  -0.12    -0.00  -0.05   0.10    -0.08  -0.09   0.09
     5   6    -0.03  -0.09  -0.08     0.02   0.04   0.06     0.03  -0.16   0.02
     6   6    -0.07  -0.01   0.12     0.03   0.04  -0.02    -0.00   0.08  -0.02
     7   1    -0.04   0.11   0.04     0.01  -0.09  -0.07     0.08  -0.10   0.01
     8   1    -0.05  -0.05  -0.04     0.02   0.00  -0.02     0.07   0.14   0.08
     9   1     0.07   0.18  -0.04    -0.05  -0.05  -0.00     0.03   0.18   0.08
    10   1     0.09  -0.12  -0.11    -0.05   0.11   0.03     0.04   0.18   0.09
    11   6     0.00   0.00  -0.10     0.00  -0.00   0.03     0.04  -0.02  -0.05
    12   1    -0.01   0.01  -0.12     0.05   0.01   0.03    -0.09   0.08   0.06
    13   1    -0.07   0.06   0.09    -0.00  -0.06  -0.02    -0.08  -0.08   0.28
    14   1     0.00   0.21  -0.20     0.05  -0.12   0.18    -0.13   0.06  -0.04
    15   1     0.00  -0.03  -0.17     0.11   0.00   0.08     0.13  -0.15  -0.03
    16   8     0.02  -0.04  -0.02    -0.02  -0.01  -0.14     0.01  -0.16   0.05
    17   6    -0.00  -0.05   0.29     0.00   0.02  -0.07     0.00   0.03  -0.11
    18   6     0.03   0.02  -0.00     0.00  -0.00   0.00     0.10   0.05  -0.02
    19   6     0.00  -0.07  -0.03    -0.00   0.01   0.01     0.00  -0.15  -0.06
    20   1     0.03  -0.05   0.18    -0.01   0.01  -0.04     0.03   0.00  -0.22
    21   1     0.04  -0.09   0.35    -0.01   0.02  -0.10     0.03  -0.03  -0.13
    22   1     0.04  -0.09   0.34    -0.01   0.02  -0.06     0.03  -0.03  -0.01
    23   1     0.00  -0.00   0.09     0.00   0.01  -0.03    -0.00   0.05   0.00
    24   1    -0.06  -0.02   0.08     0.04   0.02  -0.04     0.14   0.11  -0.02
    25   1     0.19   0.08   0.04    -0.06  -0.01  -0.02     0.12   0.12  -0.02
    26   1     0.01  -0.06   0.04    -0.00   0.02   0.00    -0.02  -0.10  -0.02
    27   1     0.02  -0.20  -0.02    -0.00   0.02   0.01     0.01  -0.23  -0.06
    28   1    -0.01  -0.00   0.05    -0.01   0.00   0.01    -0.03  -0.16  -0.02
    29   6     0.01   0.03   0.13    -0.01   0.02   0.29    -0.06   0.03  -0.04
    30   6    -0.01   0.01   0.01    -0.02   0.03   0.03    -0.17   0.15  -0.01
    31   8     0.02   0.01  -0.05     0.01  -0.02  -0.11     0.17   0.01   0.01
    32   1     0.14  -0.13  -0.08     0.40  -0.30  -0.16    -0.23   0.19   0.01
    33   1     0.01  -0.04  -0.13    -0.04   0.02  -0.30    -0.19   0.18   0.03
    34   1    -0.23   0.14  -0.08    -0.44   0.32  -0.19    -0.12   0.10   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2653               750.7562               800.3926
 Red. masses --      3.1828                 2.5498                 2.2414
 Frc consts  --      0.8250                 0.8468                 0.8460
 IR Inten    --      2.6282                 2.4463                 2.0604
 RamAct Fr= 1--      5.2216                 4.7479                 3.1440
  Dep-P Fr= 1--      0.1590                 0.3961                 0.3082
  Dep-U Fr= 1--      0.2743                 0.5675                 0.4712
 Alpha2 Fr= 1--      0.0789                 0.0357                 0.0315
 Beta2  Fr= 1--      0.2387                 0.4490                 0.2469
 AlphaG Fr= 1--      0.0448                -0.0037                -0.0209
 Gamma2 Fr= 1--      0.9226                -1.4907                 0.8518
 Delta2 Fr= 1--      0.3286                -0.4582                -0.0655
 Raman1 Fr= 1--      20.886                 18.992                 12.576
 ROA1   Fr= 1--      99.088               -157.768                 79.682
 CID1   Fr= 1--       4.744                 -8.307                  6.336
 Raman2 Fr= 1--       2.865                  5.388                  2.963
 ROA2   Fr= 1--      19.514                -32.110                 20.968
 CID2   Fr= 1--       6.812                 -5.959                  7.076
 Raman3 Fr= 1--       5.729                 10.777                  5.926
 ROA3   Fr= 1--      99.088               -157.768                 79.682
 CID3   Fr= 1--      17.295                -14.640                 13.446
 RC180  Fr= 1--      -0.451                  0.135                 -0.058
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.10     0.01   0.06   0.06     0.07   0.09   0.00
     2   6    -0.00  -0.01   0.07     0.08  -0.08   0.01     0.05   0.14   0.01
     3   6    -0.08   0.08   0.03    -0.09   0.06  -0.04     0.07  -0.03  -0.06
     4   6    -0.07  -0.02   0.05    -0.08  -0.02   0.05    -0.06  -0.12   0.03
     5   6    -0.11  -0.00   0.05     0.03   0.02   0.05    -0.10  -0.11  -0.03
     6   6    -0.11  -0.04  -0.03     0.19  -0.08  -0.01     0.04  -0.04   0.00
     7   1     0.07   0.01   0.03     0.01  -0.00   0.15    -0.08   0.18   0.38
     8   1     0.08   0.14   0.14    -0.08   0.12  -0.03    -0.22  -0.11  -0.19
     9   1     0.08   0.15   0.07    -0.12  -0.47  -0.01    -0.08  -0.13   0.22
    10   1     0.10  -0.14   0.02    -0.20   0.21   0.04    -0.22   0.34  -0.11
    11   6     0.03  -0.00  -0.09    -0.06   0.06  -0.18     0.03  -0.02   0.04
    12   1    -0.12   0.04   0.03    -0.01  -0.01  -0.16     0.14  -0.02  -0.10
    13   1     0.17  -0.04  -0.13     0.08  -0.04  -0.08    -0.21  -0.09   0.28
    14   1    -0.12  -0.29   0.15    -0.13  -0.19   0.09     0.04   0.15  -0.04
    15   1    -0.20  -0.04   0.13     0.02   0.00   0.07    -0.21  -0.04  -0.09
    16   8     0.01   0.08  -0.04     0.01   0.00   0.00    -0.05   0.07  -0.01
    17   6    -0.01   0.01  -0.08     0.04  -0.02   0.05     0.01  -0.01  -0.03
    18   6     0.15   0.07  -0.03    -0.02   0.00  -0.04    -0.02  -0.03   0.01
    19   6     0.01  -0.13  -0.05    -0.01   0.04  -0.02     0.01   0.03   0.02
    20   1     0.07   0.04  -0.26    -0.05  -0.04   0.32    -0.02   0.01   0.09
    21   1     0.07  -0.02   0.10    -0.06   0.05  -0.10    -0.03   0.04  -0.06
    22   1     0.09   0.01  -0.10    -0.07   0.03  -0.03    -0.03   0.05  -0.12
    23   1     0.12   0.06   0.04     0.01  -0.03   0.09    -0.08  -0.02  -0.02
    24   1     0.09   0.05   0.03    -0.22  -0.13   0.09     0.06   0.03  -0.03
    25   1     0.28   0.13  -0.00     0.20   0.05   0.02    -0.10  -0.03  -0.01
    26   1    -0.03  -0.06   0.02     0.03   0.01   0.10    -0.02   0.07  -0.01
    27   1    -0.04  -0.23  -0.06     0.03  -0.20  -0.01    -0.02   0.12   0.02
    28   1    -0.02  -0.14  -0.03    -0.00   0.24   0.15    -0.00  -0.04  -0.04
    29   6     0.06   0.01   0.02    -0.02  -0.02   0.00    -0.01   0.01  -0.00
    30   6     0.14  -0.12   0.01    -0.03   0.02   0.00     0.06  -0.06   0.00
    31   8    -0.09   0.02  -0.01     0.00  -0.02   0.00    -0.01   0.02  -0.00
    32   1     0.15  -0.15  -0.01    -0.01   0.02  -0.00     0.11  -0.05   0.01
    33   1     0.19  -0.19  -0.02    -0.06   0.06  -0.01     0.04  -0.01  -0.00
    34   1     0.07  -0.08  -0.01    -0.02   0.03  -0.00     0.11  -0.05  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    835.4460               849.7820               897.2153
 Red. masses --      1.7711                 2.1290                 2.2565
 Frc consts  --      0.7283                 0.9058                 1.0702
 IR Inten    --      3.9228                 0.5607                 1.3251
 RamAct Fr= 1--      6.1203                 2.2480                 3.2835
  Dep-P Fr= 1--      0.0155                 0.0078                 0.2172
  Dep-U Fr= 1--      0.0306                 0.0155                 0.3569
 Alpha2 Fr= 1--      0.1312                 0.0491                 0.0426
 Beta2  Fr= 1--      0.0312                 0.0058                 0.1953
 AlphaG Fr= 1--     -0.1273                -0.0226                 0.0447
 Gamma2 Fr= 1--      0.1165                -0.1055                 0.9058
 Delta2 Fr= 1--      0.2351                 0.0076                 0.3686
 Raman1 Fr= 1--      24.481                  8.992                 13.134
 ROA1   Fr= 1--      18.709                 -9.882                 98.752
 CID1   Fr= 1--       0.764                 -1.099                  7.519
 Raman2 Fr= 1--       0.374                  0.070                  2.344
 ROA2   Fr= 1--       0.916                 -2.592                 18.790
 CID2   Fr= 1--       2.448                -37.288                  8.016
 Raman3 Fr= 1--       0.748                  0.139                  4.688
 ROA3   Fr= 1--      18.709                 -9.882                 98.752
 CID3   Fr= 1--      25.012                -71.088                 21.064
 RC180  Fr= 1--      -0.939                 -0.969                 -0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.06   0.05     0.07   0.07   0.02     0.02   0.09   0.15
     2   6    -0.05  -0.01  -0.00     0.01  -0.09  -0.08    -0.09   0.10  -0.08
     3   6     0.06  -0.03   0.07     0.09  -0.09   0.16     0.06  -0.10  -0.06
     4   6     0.02  -0.11   0.04    -0.07  -0.05  -0.01    -0.07   0.02  -0.07
     5   6     0.05  -0.02  -0.07     0.05   0.07  -0.02    -0.01   0.06   0.09
     6   6     0.05   0.00   0.01    -0.09   0.06   0.02     0.01  -0.08  -0.00
     7   1     0.08   0.03  -0.34    -0.10   0.31   0.24     0.04   0.18  -0.03
     8   1     0.24   0.22   0.26    -0.23   0.08  -0.26     0.14  -0.01   0.29
     9   1     0.05   0.20  -0.29    -0.05  -0.21   0.11    -0.04   0.21  -0.33
    10   1     0.20  -0.21   0.09    -0.20  -0.01  -0.28     0.08  -0.07  -0.08
    11   6    -0.01   0.03  -0.04    -0.03   0.01  -0.03     0.02  -0.01   0.02
    12   1     0.21   0.04  -0.01     0.11  -0.16   0.09     0.05  -0.35  -0.22
    13   1    -0.25  -0.08   0.29    -0.25  -0.05  -0.10    -0.20   0.00  -0.34
    14   1     0.03   0.23  -0.14    -0.16  -0.01  -0.10     0.03  -0.11   0.09
    15   1    -0.02   0.08  -0.17     0.17   0.12  -0.13     0.03  -0.01   0.17
    16   8    -0.02   0.11  -0.01     0.01  -0.03   0.01     0.04  -0.06  -0.00
    17   6     0.02   0.00  -0.01    -0.04   0.03  -0.01     0.01  -0.05  -0.02
    18   6    -0.03   0.00  -0.01     0.03   0.02  -0.02    -0.01  -0.01   0.01
    19   6     0.00  -0.02  -0.03    -0.01  -0.01  -0.02     0.01   0.01   0.02
    20   1    -0.04  -0.03   0.09     0.04   0.01  -0.28     0.02   0.07   0.17
    21   1    -0.03   0.01  -0.14     0.07  -0.07   0.12    -0.02   0.08   0.12
    22   1    -0.05  -0.02   0.04     0.09  -0.05   0.12    -0.01   0.12  -0.30
    23   1     0.00  -0.02   0.04     0.07   0.00   0.04    -0.03  -0.01  -0.01
    24   1    -0.11  -0.05   0.05    -0.07  -0.04   0.05     0.03   0.01  -0.01
    25   1     0.07   0.02   0.02     0.15   0.02   0.01    -0.05  -0.02  -0.00
    26   1     0.01  -0.03   0.03     0.02  -0.05   0.03    -0.02   0.06   0.01
    27   1     0.03  -0.13  -0.02     0.04  -0.13  -0.01    -0.03   0.04   0.01
    28   1    -0.00   0.06   0.06    -0.00   0.09   0.07    -0.01  -0.05  -0.02
    29   6    -0.02  -0.02   0.00     0.01  -0.00  -0.00     0.02  -0.01   0.00
    30   6    -0.00  -0.02   0.00    -0.01   0.02  -0.00    -0.02   0.04  -0.00
    31   8    -0.02  -0.03   0.01     0.00  -0.00   0.00     0.01  -0.01  -0.00
    32   1     0.09  -0.01   0.01    -0.05   0.02  -0.00    -0.10   0.03  -0.01
    33   1    -0.07   0.10  -0.01     0.01  -0.02   0.00     0.03  -0.05   0.00
    34   1     0.08  -0.01  -0.01    -0.05   0.02   0.00    -0.11   0.04   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    922.8173               931.8169               952.4276
 Red. masses --      2.9725                 2.8888                 1.9633
 Frc consts  --      1.4914                 1.4778                 1.0493
 IR Inten    --      5.2079                 0.4467                 2.5927
 RamAct Fr= 1--      5.9060                 3.0211                 3.6471
  Dep-P Fr= 1--      0.0990                 0.6994                 0.5460
  Dep-U Fr= 1--      0.1802                 0.8231                 0.7063
 Alpha2 Fr= 1--      0.1036                 0.0027                 0.0143
 Beta2  Fr= 1--      0.1774                 0.4145                 0.4293
 AlphaG Fr= 1--      0.0304                 0.0004                -0.0022
 Gamma2 Fr= 1--     -0.5606                -2.6823                -1.3661
 Delta2 Fr= 1--     -0.7841                -0.5450                -1.2624
 Raman1 Fr= 1--      23.624                 12.084                 14.588
 ROA1   Fr= 1--     -78.912               -274.945               -171.539
 CID1   Fr= 1--      -3.340                -22.752                -11.759
 Raman2 Fr= 1--       2.129                  4.973                  5.152
 ROA2   Fr= 1--      -7.182                -60.016                -22.686
 CID2   Fr= 1--      -3.374                -12.067                 -4.403
 Raman3 Fr= 1--       4.258                  9.947                 10.304
 ROA3   Fr= 1--     -78.912               -274.945               -171.539
 CID3   Fr= 1--     -18.534                -27.641                -16.648
 RC180  Fr= 1--      -0.640                  0.646                  0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.01  -0.11   0.05     0.04  -0.02   0.05
     2   6    -0.00   0.12   0.01    -0.02   0.15  -0.12    -0.02  -0.03  -0.06
     3   6    -0.06   0.01   0.03    -0.01  -0.07   0.19    -0.02   0.02  -0.08
     4   6     0.04   0.00  -0.02     0.12   0.08  -0.02    -0.00  -0.00   0.05
     5   6     0.13  -0.01   0.00    -0.04  -0.04  -0.05     0.01  -0.00  -0.04
     6   6    -0.07  -0.10  -0.02     0.02  -0.03  -0.02     0.01   0.03  -0.01
     7   1     0.02  -0.18   0.20     0.03  -0.20   0.11     0.01  -0.00   0.11
     8   1    -0.08  -0.07  -0.09    -0.01  -0.02   0.00    -0.04  -0.10   0.00
     9   1    -0.00   0.09   0.25    -0.08   0.04  -0.05    -0.03  -0.06  -0.05
    10   1    -0.08   0.14  -0.08    -0.07   0.23  -0.09    -0.04  -0.04  -0.12
    11   6    -0.00   0.01  -0.01    -0.06   0.05  -0.02    -0.12   0.08   0.09
    12   1    -0.12   0.06   0.12    -0.16  -0.14   0.27     0.17  -0.12  -0.33
    13   1     0.04   0.01   0.07     0.17   0.08   0.01     0.11  -0.01   0.08
    14   1    -0.04   0.08  -0.14     0.04   0.03  -0.06    -0.00  -0.01   0.05
    15   1     0.01   0.01   0.02    -0.08  -0.09   0.03     0.02   0.01  -0.07
    16   8     0.13   0.17  -0.02    -0.08  -0.04   0.01     0.03   0.03   0.00
    17   6    -0.06  -0.07  -0.00     0.04  -0.05   0.02     0.03   0.01   0.02
    18   6     0.00   0.01  -0.02     0.02   0.05  -0.03     0.06   0.10   0.05
    19   6     0.00   0.00  -0.00    -0.03  -0.03  -0.05    -0.05  -0.12  -0.00
    20   1     0.09   0.15  -0.01    -0.03   0.02   0.37    -0.04  -0.04   0.10
    21   1     0.05   0.04   0.48    -0.07   0.11   0.00    -0.03   0.01  -0.13
    22   1     0.10   0.15  -0.38    -0.08   0.10  -0.22    -0.05  -0.02   0.08
    23   1     0.06  -0.00   0.02     0.21   0.03   0.04     0.47   0.15  -0.18
    24   1    -0.07  -0.06   0.02    -0.18  -0.13   0.06     0.08  -0.07  -0.13
    25   1     0.08  -0.01   0.01     0.18  -0.01   0.02    -0.24  -0.20  -0.02
    26   1    -0.01   0.03   0.01     0.06  -0.16   0.04     0.09  -0.39  -0.20
    27   1    -0.01  -0.01  -0.01     0.08  -0.23  -0.02     0.06   0.16   0.02
    28   1    -0.01  -0.02   0.00     0.00   0.19   0.13     0.08  -0.01  -0.08
    29   6     0.04  -0.09   0.01    -0.04   0.05  -0.00     0.01  -0.02   0.00
    30   6    -0.11   0.06  -0.00     0.06  -0.05   0.00    -0.02   0.01  -0.00
    31   8    -0.05  -0.13   0.02     0.02   0.07  -0.01    -0.01  -0.02   0.00
    32   1    -0.03   0.07   0.01     0.09  -0.05   0.00    -0.01   0.02   0.00
    33   1    -0.22   0.23  -0.01     0.07  -0.06   0.00    -0.04   0.04  -0.00
    34   1    -0.03   0.07  -0.02     0.09  -0.06   0.00    -0.01   0.01  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    959.4235               963.7622               974.0698
 Red. masses --      1.6099                 1.6562                 1.7766
 Frc consts  --      0.8731                 0.9063                 0.9931
 IR Inten    --      0.2894                 0.6728                 5.8494
 RamAct Fr= 1--      5.7625                 1.5918                 5.1327
  Dep-P Fr= 1--      0.5185                 0.5229                 0.2977
  Dep-U Fr= 1--      0.6829                 0.6867                 0.4588
 Alpha2 Fr= 1--      0.0260                 0.0070                 0.0530
 Beta2  Fr= 1--      0.6559                 0.1822                 0.3924
 AlphaG Fr= 1--      0.0037                 0.0047                 0.0142
 Gamma2 Fr= 1--      1.2112                 0.5084                 2.3080
 Delta2 Fr= 1--      0.7285                 0.0705                 2.4229
 Raman1 Fr= 1--      23.050                  6.367                 20.531
 ROA1   Fr= 1--     139.590                 51.066                299.105
 CID1   Fr= 1--       6.056                  8.020                 14.569
 Raman2 Fr= 1--       7.870                  2.186                  4.709
 ROA2   Fr= 1--      23.241                 11.639                 36.009
 CID2   Fr= 1--       2.953                  5.324                  7.646
 Raman3 Fr= 1--      15.740                  4.372                  9.419
 ROA3   Fr= 1--     139.590                 51.066                299.105
 CID3   Fr= 1--       8.868                 11.680                 31.757
 RC180  Fr= 1--       0.366                  0.373                 -0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.07    -0.02   0.02   0.10     0.07  -0.03   0.05
     2   6    -0.04   0.03   0.04     0.03  -0.02  -0.08    -0.07   0.02  -0.09
     3   6     0.07   0.01   0.03    -0.08  -0.01  -0.04    -0.03  -0.02   0.01
     4   6    -0.08   0.02   0.03     0.09  -0.02  -0.02    -0.02   0.06   0.05
     5   6    -0.02  -0.01  -0.04     0.03  -0.01   0.02    -0.00  -0.09  -0.02
     6   6     0.02  -0.01   0.00    -0.02   0.02  -0.01     0.02   0.06   0.00
     7   1    -0.07   0.16  -0.04     0.09  -0.19   0.05    -0.02   0.09   0.16
     8   1    -0.00  -0.21  -0.04     0.05   0.18   0.12    -0.03  -0.21   0.02
     9   1     0.05   0.21   0.03    -0.06  -0.19  -0.13    -0.02   0.12  -0.15
    10   1     0.11  -0.10   0.08    -0.10   0.10  -0.11     0.01  -0.12  -0.19
    11   6    -0.06  -0.06  -0.01    -0.02  -0.06  -0.01     0.06  -0.01  -0.02
    12   1     0.11   0.07   0.04    -0.12  -0.13  -0.09    -0.18  -0.19   0.02
    13   1     0.06   0.00  -0.12     0.01   0.00   0.17     0.31   0.03   0.01
    14   1    -0.20  -0.16   0.03     0.19   0.17  -0.03    -0.14  -0.18   0.07
    15   1    -0.03  -0.02  -0.02     0.06   0.02  -0.02    -0.11  -0.12   0.05
    16   8     0.03   0.01   0.01    -0.02   0.01  -0.01     0.04   0.07  -0.00
    17   6     0.04  -0.01  -0.01    -0.04   0.02   0.02     0.02   0.07   0.02
    18   6     0.08  -0.02  -0.04     0.07  -0.05  -0.02    -0.02  -0.05   0.03
    19   6    -0.08   0.04   0.03    -0.05   0.04   0.05     0.03   0.04  -0.04
    20   1    -0.04  -0.02   0.19     0.04   0.02  -0.20    -0.04  -0.09  -0.09
    21   1    -0.05   0.05  -0.14     0.06  -0.06   0.14     0.00  -0.06  -0.25
    22   1    -0.08   0.02  -0.06     0.08  -0.03   0.10    -0.03  -0.12   0.33
    23   1    -0.26  -0.04   0.09    -0.35  -0.05   0.06    -0.19  -0.02  -0.05
    24   1     0.15   0.18   0.06     0.24   0.22   0.01     0.15   0.10  -0.06
    25   1     0.24   0.23  -0.01     0.12   0.22  -0.02    -0.18  -0.02  -0.02
    26   1     0.14  -0.34  -0.12     0.09  -0.23  -0.13    -0.03   0.18   0.17
    27   1     0.14   0.21   0.08     0.08   0.29   0.07    -0.01  -0.28  -0.04
    28   1     0.10   0.35   0.07     0.09   0.19  -0.02    -0.06   0.06   0.11
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.00  -0.02   0.00
    30   6    -0.01   0.02  -0.00     0.00  -0.02   0.00    -0.03  -0.01   0.00
    31   8    -0.01  -0.02   0.00     0.00   0.01  -0.00    -0.02  -0.03   0.00
    32   1    -0.04   0.02  -0.00     0.06  -0.02   0.01     0.06   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.03   0.04  -0.00    -0.11   0.12  -0.01
    34   1    -0.03   0.01   0.00     0.06  -0.02  -0.01     0.06  -0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    998.5676              1008.0222              1023.8808
 Red. masses --      1.9984                 1.9673                 1.4903
 Frc consts  --      1.1740                 1.1778                 0.9205
 IR Inten    --      4.3657                 1.2269                17.0670
 RamAct Fr= 1--      3.1887                 5.0556                 1.4594
  Dep-P Fr= 1--      0.6898                 0.0525                 0.7499
  Dep-U Fr= 1--      0.8164                 0.0998                 0.8571
 Alpha2 Fr= 1--      0.0034                 0.0993                 0.0000
 Beta2  Fr= 1--      0.4339                 0.0841                 0.2085
 AlphaG Fr= 1--     -0.0049                -0.0581                 0.0005
 Gamma2 Fr= 1--     -0.9944                 0.1184                 0.2902
 Delta2 Fr= 1--     -1.1413                 0.4197                 0.4712
 Raman1 Fr= 1--      12.755                 20.223                  5.838
 ROA1   Fr= 1--    -131.982                 24.794                 42.939
 CID1   Fr= 1--     -10.348                  1.226                  7.356
 Raman2 Fr= 1--       5.207                  1.009                  2.502
 ROA2   Fr= 1--     -14.735                 -0.516                  3.195
 CID2   Fr= 1--      -2.830                 -0.511                  1.277
 Raman3 Fr= 1--      10.413                  2.018                  5.003
 ROA3   Fr= 1--    -131.982                 24.794                 42.939
 CID3   Fr= 1--     -12.674                 12.284                  8.582
 RC180  Fr= 1--       0.633                 -0.800                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.12   0.08     0.02   0.01  -0.03    -0.00   0.00  -0.02
     2   6    -0.02   0.03  -0.10    -0.01  -0.02   0.03    -0.00   0.01  -0.01
     3   6     0.04   0.13  -0.00     0.01   0.02  -0.03     0.01  -0.03   0.01
     4   6    -0.09  -0.02   0.08    -0.05   0.01  -0.05    -0.01   0.01  -0.06
     5   6     0.04   0.03  -0.06     0.14  -0.04   0.09    -0.02  -0.05   0.08
     6   6    -0.00   0.01  -0.03     0.01  -0.00   0.01     0.01   0.02   0.02
     7   1     0.05  -0.15   0.09    -0.04   0.11  -0.02    -0.01   0.01  -0.01
     8   1     0.10  -0.30   0.19    -0.01  -0.10  -0.02    -0.01   0.04  -0.04
     9   1    -0.06  -0.05  -0.18     0.02   0.05   0.01    -0.01   0.00  -0.01
    10   1    -0.01   0.07  -0.03     0.06  -0.08   0.05    -0.01  -0.00  -0.04
    11   6     0.03  -0.00  -0.01    -0.00   0.02   0.01    -0.00   0.01   0.01
    12   1     0.23   0.25  -0.07     0.03  -0.00  -0.06    -0.12  -0.11   0.06
    13   1     0.07  -0.03   0.05    -0.02   0.01  -0.12    -0.07   0.01  -0.09
    14   1    -0.27  -0.11  -0.03    -0.21  -0.06  -0.15     0.06   0.02  -0.01
    15   1     0.13   0.11  -0.20     0.23  -0.04   0.07    -0.08  -0.12   0.18
    16   8    -0.04  -0.02   0.02    -0.04  -0.00   0.01     0.06   0.02  -0.01
    17   6    -0.03  -0.02   0.03    -0.03  -0.03  -0.02     0.03   0.06  -0.01
    18   6    -0.03  -0.01  -0.04     0.00   0.00   0.03    -0.03   0.03  -0.08
    19   6     0.05  -0.01   0.06    -0.03  -0.00  -0.02     0.01  -0.03   0.07
    20   1     0.03   0.04  -0.05     0.05   0.07  -0.05    -0.06  -0.10  -0.04
    21   1     0.03  -0.02   0.20     0.03   0.01   0.17    -0.02  -0.03  -0.30
    22   1     0.05   0.02  -0.02     0.05   0.05  -0.15    -0.05  -0.08   0.23
    23   1    -0.07  -0.05   0.11     0.03   0.03  -0.07     0.09  -0.04   0.16
    24   1    -0.17  -0.06   0.09     0.10   0.03  -0.06    -0.35  -0.16   0.16
    25   1     0.20   0.07   0.02    -0.16  -0.05  -0.01     0.36   0.06   0.03
    26   1    -0.08   0.16  -0.09     0.04  -0.10   0.00    -0.03  -0.02  -0.17
    27   1    -0.11   0.25   0.01     0.04  -0.07  -0.00    -0.07   0.34   0.05
    28   1    -0.00  -0.32  -0.19     0.00   0.11   0.06     0.04  -0.25  -0.19
    29   6    -0.01   0.01  -0.00    -0.09   0.05  -0.00    -0.01  -0.00   0.00
    30   6     0.02  -0.01   0.00    -0.02  -0.14   0.02    -0.04  -0.04   0.00
    31   8     0.01   0.02  -0.00     0.02   0.09  -0.01    -0.01   0.00  -0.00
    32   1     0.02  -0.02  -0.00     0.44  -0.11   0.05     0.14  -0.01   0.02
    33   1     0.02  -0.02  -0.00    -0.29   0.34  -0.03    -0.16   0.18  -0.01
    34   1     0.02  -0.01   0.00     0.40  -0.08  -0.07     0.13  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1049.0645              1057.8776              1068.4219
 Red. masses --      2.4918                 2.0512                 1.8246
 Frc consts  --      1.6157                 1.3525                 1.2271
 IR Inten    --     28.4579                61.1047                 7.4996
 RamAct Fr= 1--      0.7761                 1.5853                 0.0676
  Dep-P Fr= 1--      0.6266                 0.7305                 0.7482
  Dep-U Fr= 1--      0.7704                 0.8443                 0.8560
 Alpha2 Fr= 1--      0.0017                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0997                 0.2231                 0.0096
 AlphaG Fr= 1--     -0.0126                -0.0031                 0.0006
 Gamma2 Fr= 1--      0.9135                 1.3369                -0.1236
 Delta2 Fr= 1--      0.0525                 0.1314                 0.0012
 Raman1 Fr= 1--       3.105                  6.341                  0.271
 ROA1   Fr= 1--      89.375                132.552                -11.829
 CID1   Fr= 1--      28.788                 20.903                -43.725
 Raman2 Fr= 1--       1.196                  2.677                  0.116
 ROA2   Fr= 1--      21.503                 31.035                 -2.977
 CID2   Fr= 1--      17.980                 11.593                -25.713
 Raman3 Fr= 1--       2.392                  5.354                  0.232
 ROA3   Fr= 1--      89.375                132.552                -11.829
 CID3   Fr= 1--      37.366                 24.758                -51.082
 RC180  Fr= 1--       0.541                  0.689                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.02     0.08   0.04  -0.02     0.01   0.00  -0.00
     2   6    -0.00  -0.01  -0.05    -0.09  -0.03   0.04    -0.01  -0.00   0.00
     3   6     0.06   0.11   0.01    -0.11  -0.02  -0.06    -0.01   0.00  -0.01
     4   6    -0.03  -0.05  -0.15     0.04  -0.03   0.03    -0.00  -0.01  -0.00
     5   6     0.03  -0.08   0.20     0.15   0.02   0.02     0.02  -0.00   0.01
     6   6     0.03   0.01   0.04    -0.01  -0.00   0.03     0.00   0.00   0.01
     7   1     0.03  -0.11   0.07    -0.03   0.12   0.22    -0.00   0.01   0.03
     8   1     0.05  -0.23   0.09    -0.13  -0.11  -0.16    -0.01  -0.03  -0.01
     9   1    -0.03  -0.06  -0.10     0.06   0.27   0.12     0.00   0.02   0.01
    10   1    -0.01   0.00  -0.05     0.05  -0.34  -0.22     0.01  -0.04  -0.02
    11   6     0.02   0.05   0.02     0.01  -0.02   0.00     0.00   0.00   0.00
    12   1    -0.03   0.29   0.20    -0.32  -0.17  -0.00    -0.03  -0.00   0.01
    13   1    -0.21  -0.02   0.01     0.12  -0.02   0.18    -0.00  -0.00   0.01
    14   1    -0.11   0.15  -0.33     0.05   0.05  -0.01     0.00   0.01  -0.00
    15   1    -0.07  -0.07   0.23     0.21   0.08  -0.08     0.04  -0.00   0.00
    16   8    -0.08   0.05  -0.02    -0.12   0.01   0.01    -0.02   0.00  -0.03
    17   6     0.00   0.04  -0.03     0.05  -0.02  -0.03     0.00  -0.00  -0.00
    18   6    -0.02  -0.01   0.02    -0.01   0.01  -0.04    -0.00   0.00  -0.00
    19   6    -0.05  -0.03  -0.04     0.01   0.00   0.03    -0.00  -0.00   0.00
    20   1     0.00  -0.01  -0.12    -0.04  -0.02   0.21    -0.00  -0.00   0.02
    21   1     0.02  -0.02  -0.10    -0.06   0.08  -0.15    -0.00   0.01  -0.01
    22   1     0.02  -0.03   0.07    -0.09   0.04  -0.11    -0.01   0.01  -0.02
    23   1    -0.00   0.01  -0.02     0.01  -0.02   0.08     0.00  -0.00   0.01
    24   1     0.01   0.00  -0.01    -0.14  -0.05   0.07    -0.01  -0.01   0.01
    25   1    -0.08  -0.03   0.00     0.17   0.03   0.01     0.01   0.00   0.00
    26   1     0.08  -0.22  -0.02    -0.03   0.06  -0.03     0.00  -0.01  -0.00
    27   1     0.10  -0.09  -0.00    -0.04   0.10   0.01     0.00   0.01   0.00
    28   1     0.03   0.20   0.08    -0.00  -0.10  -0.06     0.00   0.00  -0.00
    29   6     0.03  -0.01  -0.01    -0.00   0.01  -0.03     0.01   0.02   0.20
    30   6     0.05   0.07   0.00     0.06   0.03   0.02     0.00  -0.01  -0.17
    31   8    -0.01  -0.05   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.04
    32   1    -0.20  -0.00  -0.05    -0.06  -0.06  -0.04    -0.42   0.45   0.13
    33   1     0.24  -0.25  -0.01     0.17  -0.18  -0.03     0.03   0.01   0.36
    34   1    -0.25   0.07   0.03    -0.16   0.06   0.01     0.41  -0.43   0.18
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.2153              1107.5730              1138.9593
 Red. masses --      1.9177                 1.2571                 1.6063
 Frc consts  --      1.2965                 0.9086                 1.2277
 IR Inten    --     64.0902                 4.5976                19.2466
 RamAct Fr= 1--      5.1888                 5.6317                 2.7003
  Dep-P Fr= 1--      0.6932                 0.7450                 0.7198
  Dep-U Fr= 1--      0.8188                 0.8539                 0.8371
 Alpha2 Fr= 1--      0.0052                 0.0005                 0.0014
 Beta2  Fr= 1--      0.7081                 0.8015                 0.3767
 AlphaG Fr= 1--      0.0092                 0.0022                -0.0046
 Gamma2 Fr= 1--      0.9521                -1.6140                 0.1919
 Delta2 Fr= 1--     -0.1046                -0.7082                 0.5539
 Raman1 Fr= 1--      20.755                 22.527                 10.801
 ROA1   Fr= 1--      88.057               -177.605                 36.148
 CID1   Fr= 1--       4.243                 -7.884                  3.347
 Raman2 Fr= 1--       8.497                  9.618                  4.521
 ROA2   Fr= 1--      23.688                -33.069                  0.174
 CID2   Fr= 1--       2.788                 -3.438                  0.039
 Raman3 Fr= 1--      16.994                 19.235                  9.041
 ROA3   Fr= 1--      88.057               -177.605                 36.148
 CID3   Fr= 1--       5.182                 -9.233                  3.998
 RC180  Fr= 1--       0.638                  0.708                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.04    -0.03  -0.01   0.02     0.01  -0.05  -0.01
     2   6    -0.04  -0.04  -0.03    -0.01   0.00  -0.00     0.01  -0.05  -0.03
     3   6    -0.02   0.08  -0.02     0.00   0.01   0.03     0.00   0.03   0.04
     4   6     0.02  -0.08  -0.02     0.01   0.01  -0.00     0.00  -0.02  -0.04
     5   6    -0.10   0.12   0.02     0.05  -0.01   0.00    -0.07  -0.00   0.08
     6   6    -0.04   0.00   0.05    -0.06  -0.00  -0.06    -0.02   0.11   0.00
     7   1     0.06  -0.16   0.23     0.08  -0.29   0.09    -0.08   0.26  -0.18
     8   1    -0.02  -0.15   0.02    -0.07   0.33  -0.12    -0.05   0.13  -0.12
     9   1     0.02   0.08   0.08     0.06   0.12   0.31     0.03  -0.01   0.08
    10   1    -0.04  -0.18  -0.25    -0.07  -0.07  -0.22     0.05   0.08   0.25
    11   6     0.01  -0.00   0.02    -0.00   0.04  -0.03    -0.01   0.08  -0.03
    12   1    -0.10   0.37   0.23     0.36   0.09  -0.21    -0.06  -0.37  -0.17
    13   1    -0.21  -0.05   0.13    -0.22   0.01  -0.24     0.25  -0.00   0.31
    14   1     0.26   0.19   0.04    -0.09  -0.02  -0.07    -0.16   0.07  -0.22
    15   1     0.06   0.17  -0.10    -0.07  -0.13   0.20     0.04   0.11  -0.11
    16   8     0.10  -0.06  -0.01    -0.02   0.00   0.00     0.03   0.01  -0.02
    17   6     0.06  -0.01  -0.03     0.06   0.00   0.03     0.03  -0.07  -0.01
    18   6     0.00  -0.02  -0.00     0.01  -0.05   0.02     0.01  -0.05   0.01
    19   6     0.00   0.00  -0.04     0.02  -0.01   0.01     0.03  -0.03   0.02
    20   1    -0.05  -0.03   0.23    -0.06  -0.07   0.22     0.02   0.06   0.26
    21   1    -0.08   0.09  -0.21    -0.05   0.05  -0.16    -0.07   0.13   0.05
    22   1    -0.11   0.04  -0.12    -0.11  -0.02   0.07    -0.06   0.08  -0.24
    23   1    -0.07  -0.02   0.01    -0.18  -0.02  -0.03    -0.20  -0.04  -0.00
    24   1     0.03   0.03   0.01     0.16   0.11  -0.03     0.13   0.12   0.00
    25   1     0.01   0.02  -0.00    -0.08   0.06  -0.01    -0.03   0.10  -0.01
    26   1     0.02   0.01   0.08    -0.03   0.07  -0.02    -0.04   0.06  -0.05
    27   1     0.04  -0.16  -0.03    -0.05   0.02  -0.01    -0.06   0.03  -0.01
    28   1    -0.02   0.10   0.09    -0.01  -0.13  -0.06     0.01  -0.18  -0.09
    29   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   6    -0.05  -0.04   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   8     0.00   0.03  -0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
    32   1     0.14  -0.01   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    33   1    -0.18   0.18  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    34   1     0.13  -0.01  -0.03     0.00  -0.00   0.00    -0.01   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1163.4795              1173.0882              1191.4361
 Red. masses --      2.2287                 2.1033                 1.8827
 Frc consts  --      1.7776                 1.7054                 1.5746
 IR Inten    --     10.3483                 2.2773                11.9063
 RamAct Fr= 1--      1.7871                 2.2108                 2.3462
  Dep-P Fr= 1--      0.5707                 0.7418                 0.4868
  Dep-U Fr= 1--      0.7267                 0.8518                 0.6548
 Alpha2 Fr= 1--      0.0060                 0.0003                 0.0123
 Beta2  Fr= 1--      0.2164                 0.3139                 0.2561
 AlphaG Fr= 1--     -0.0155                -0.0009                -0.0228
 Gamma2 Fr= 1--      1.4120                 0.5985                -0.9401
 Delta2 Fr= 1--      0.6656                 0.3552                -0.0622
 Raman1 Fr= 1--       7.148                  8.843                  9.385
 ROA1   Fr= 1--     156.849                 68.824                -92.242
 CID1   Fr= 1--      21.942                  7.783                 -9.829
 Raman2 Fr= 1--       2.597                  3.766                  3.073
 ROA2   Fr= 1--      28.563                 11.523                -22.066
 CID2   Fr= 1--      10.997                  3.060                 -7.181
 Raman3 Fr= 1--       5.195                  7.532                  6.145
 ROA3   Fr= 1--     156.849                 68.824                -92.242
 CID3   Fr= 1--      30.195                  9.137                -15.010
 RC180  Fr= 1--       0.453                  0.704                  0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.01  -0.03  -0.04
     2   6     0.04  -0.04  -0.02    -0.08  -0.02   0.00    -0.07   0.04   0.04
     3   6     0.07  -0.01  -0.07    -0.04   0.02   0.04    -0.03   0.01   0.04
     4   6    -0.08   0.07   0.02    -0.01  -0.05   0.01     0.02   0.02  -0.02
     5   6     0.01  -0.10  -0.05    -0.02   0.02  -0.04    -0.07   0.05   0.01
     6   6    -0.01   0.08   0.12     0.11   0.02  -0.14     0.13  -0.09   0.14
     7   1     0.05  -0.20  -0.08    -0.02   0.12   0.15     0.05  -0.26   0.16
     8   1     0.01   0.29  -0.00    -0.11   0.03  -0.20    -0.12   0.21  -0.24
     9   1     0.03  -0.07   0.17     0.05   0.22   0.03    -0.02   0.14  -0.07
    10   1    -0.09  -0.03  -0.23     0.13  -0.09   0.23     0.03  -0.20  -0.20
    11   6     0.12   0.10   0.09     0.09   0.14  -0.02     0.02   0.04   0.01
    12   1    -0.08  -0.03   0.03    -0.15  -0.01   0.11     0.35  -0.16  -0.38
    13   1     0.06   0.04  -0.18    -0.26  -0.05  -0.08     0.18   0.03   0.13
    14   1     0.24  -0.15   0.42     0.36   0.05   0.29    -0.15   0.03  -0.18
    15   1     0.18  -0.01  -0.22    -0.20  -0.12   0.19    -0.05   0.13  -0.11
    16   8    -0.01   0.04   0.01    -0.00  -0.02   0.01     0.02  -0.03  -0.01
    17   6    -0.00  -0.04  -0.06    -0.06  -0.02   0.06    -0.06   0.04  -0.05
    18   6    -0.05  -0.03  -0.04    -0.04  -0.04   0.01    -0.01  -0.02  -0.02
    19   6    -0.04  -0.04  -0.04    -0.04  -0.06   0.02    -0.00  -0.02  -0.01
    20   1     0.04   0.08   0.04     0.05   0.07  -0.08     0.05   0.04  -0.34
    21   1    -0.04   0.08   0.04     0.07  -0.07   0.31     0.07  -0.11   0.02
    22   1    -0.00   0.09  -0.27     0.12  -0.03   0.08     0.14   0.00  -0.01
    23   1    -0.14  -0.07   0.13    -0.13  -0.03   0.00    -0.08  -0.03   0.04
    24   1    -0.16  -0.02   0.12    -0.01   0.02   0.01    -0.03   0.01   0.03
    25   1     0.11   0.05   0.01    -0.08   0.01  -0.00     0.03   0.04  -0.00
    26   1     0.07  -0.20   0.01     0.04  -0.22  -0.14     0.00  -0.02  -0.00
    27   1     0.11  -0.10  -0.00     0.06   0.11   0.03     0.01  -0.02  -0.01
    28   1     0.01   0.12   0.05     0.08   0.02  -0.09     0.02   0.02  -0.00
    29   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    31   8    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    32   1    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.01
    33   1     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.03  -0.04   0.01
    34   1    -0.01   0.01  -0.00     0.01  -0.00  -0.00    -0.00  -0.01   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1225.4023              1235.4490              1254.9673
 Red. masses --      1.9666                 1.6986                 1.8172
 Frc consts  --      1.7399                 1.5276                 1.6862
 IR Inten    --      2.6165                 0.6364                 5.7603
 RamAct Fr= 1--      6.3248                 1.4014                 6.6442
  Dep-P Fr= 1--      0.7466                 0.7448                 0.6390
  Dep-U Fr= 1--      0.8550                 0.8538                 0.7798
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0133
 Beta2  Fr= 1--      0.9012                 0.1994                 0.8635
 AlphaG Fr= 1--      0.0007                 0.0002                 0.0220
 Gamma2 Fr= 1--     -0.6941                -0.1345                 2.8734
 Delta2 Fr= 1--     -0.3197                 0.1465                 0.9073
 Raman1 Fr= 1--      25.299                  5.606                 26.577
 ROA1   Fr= 1--     -76.862                 -8.228                304.880
 CID1   Fr= 1--      -3.038                 -1.468                 11.472
 Raman2 Fr= 1--      10.815                  2.393                 10.362
 ROA2   Fr= 1--     -14.100                 -4.401                 61.703
 CID2   Fr= 1--      -1.304                 -1.839                  5.955
 Raman3 Fr= 1--      21.630                  4.786                 20.724
 ROA3   Fr= 1--     -76.862                 -8.228                304.880
 CID3   Fr= 1--      -3.554                 -1.719                 14.712
 RC180  Fr= 1--       0.710                  0.708                  0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.07  -0.01   0.03    -0.04   0.01  -0.04
     2   6     0.01  -0.02  -0.04     0.01   0.02  -0.02     0.08   0.04   0.03
     3   6    -0.04   0.05  -0.03     0.06   0.00  -0.03    -0.03  -0.01   0.03
     4   6    -0.00  -0.04  -0.01    -0.03  -0.02   0.03     0.02  -0.01   0.02
     5   6     0.02   0.04   0.00    -0.01   0.07   0.02     0.03   0.04  -0.03
     6   6    -0.01  -0.01  -0.09    -0.01  -0.06  -0.06    -0.02  -0.11   0.02
     7   1    -0.02   0.09  -0.08    -0.02   0.03  -0.17    -0.10   0.25  -0.23
     8   1     0.02  -0.04   0.04     0.05   0.14   0.09     0.19  -0.51   0.33
     9   1     0.07   0.08   0.27     0.10   0.16   0.47     0.01  -0.12   0.11
    10   1     0.04   0.12   0.23    -0.08   0.00  -0.22    -0.12  -0.01  -0.37
    11   6     0.01  -0.04   0.22     0.14  -0.03  -0.06    -0.03   0.18   0.02
    12   1     0.17  -0.20  -0.37    -0.21  -0.17   0.09    -0.12  -0.14   0.01
    13   1     0.05  -0.02   0.11     0.24  -0.02   0.25    -0.06  -0.01  -0.02
    14   1    -0.02   0.05  -0.08    -0.27  -0.01  -0.19     0.03   0.03   0.01
    15   1    -0.12  -0.09   0.22    -0.06   0.11  -0.02     0.02   0.00   0.03
    16   8    -0.01  -0.01  -0.00     0.01  -0.03  -0.00     0.00  -0.01   0.00
    17   6    -0.01   0.02   0.03     0.01   0.03   0.02     0.00   0.03  -0.01
    18   6    -0.00   0.00  -0.09    -0.05   0.03   0.03     0.02  -0.07  -0.01
    19   6     0.00   0.02  -0.09    -0.07  -0.00   0.02     0.02  -0.04  -0.01
    20   1    -0.02  -0.02   0.00    -0.03  -0.05  -0.00    -0.03  -0.05  -0.07
    21   1     0.02  -0.03   0.04     0.02  -0.04  -0.05     0.03  -0.06  -0.09
    22   1     0.00  -0.04   0.13    -0.01  -0.04   0.12     0.01  -0.03   0.09
    23   1    -0.01  -0.07   0.20     0.10   0.03  -0.03    -0.24  -0.05   0.01
    24   1    -0.17   0.01   0.15    -0.10  -0.13  -0.05     0.10   0.13   0.06
    25   1     0.31   0.08   0.00    -0.13  -0.16   0.02    -0.03   0.15  -0.03
    26   1     0.05   0.01   0.22     0.04  -0.19  -0.07    -0.01  -0.02  -0.06
    27   1     0.07  -0.32  -0.06     0.13   0.14   0.06    -0.05  -0.07  -0.02
    28   1    -0.10   0.12   0.18     0.10   0.21  -0.02    -0.01  -0.13  -0.06
    29   6     0.02   0.00   0.00    -0.01   0.00   0.00    -0.03   0.00   0.00
    30   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.01   0.00  -0.00
    32   1     0.01   0.01   0.01     0.01   0.00   0.00     0.00  -0.01  -0.01
    33   1    -0.02   0.02  -0.00    -0.00   0.00   0.00     0.03  -0.03   0.00
    34   1     0.01   0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.02   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1261.9467              1270.7586              1284.0382
 Red. masses --      1.6457                 3.7774                 1.6468
 Frc consts  --      1.5441                 3.5939                 1.5997
 IR Inten    --      2.8567               433.3801                 0.4647
 RamAct Fr= 1--      1.5513                 1.4114                 5.9155
  Dep-P Fr= 1--      0.7498                 0.4115                 0.7441
  Dep-U Fr= 1--      0.8570                 0.5831                 0.8533
 Alpha2 Fr= 1--      0.0000                 0.0100                 0.0006
 Beta2  Fr= 1--      0.2216                 0.1372                 0.8413
 AlphaG Fr= 1--      0.0002                -0.0169                 0.0019
 Gamma2 Fr= 1--     -0.9743                -0.4261                -2.5261
 Delta2 Fr= 1--     -0.6333                -0.2876                -1.0047
 Raman1 Fr= 1--       6.205                  5.646                 23.662
 ROA1   Fr= 1--    -113.801                -50.112               -274.657
 CID1   Fr= 1--     -18.340                 -8.876                -11.607
 Raman2 Fr= 1--       2.659                  1.646                 10.095
 ROA2   Fr= 1--     -18.317                 -7.926                -52.589
 CID2   Fr= 1--      -6.889                 -4.815                 -5.209
 Raman3 Fr= 1--       5.318                  3.292                 20.191
 ROA3   Fr= 1--    -113.801                -50.112               -274.657
 CID3   Fr= 1--     -21.399                -15.223                -13.603
 RC180  Fr= 1--       0.714                  0.166                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.01    -0.00  -0.03  -0.01    -0.03  -0.04   0.04
     2   6     0.02  -0.04   0.04     0.01   0.02   0.02     0.00  -0.01  -0.03
     3   6    -0.04  -0.11  -0.04     0.00   0.03   0.02    -0.02   0.03   0.03
     4   6     0.05   0.01   0.04     0.01  -0.01   0.00    -0.01  -0.00  -0.05
     5   6    -0.03   0.03  -0.03     0.01   0.01  -0.00    -0.01  -0.03  -0.01
     6   6     0.02   0.13  -0.01     0.02  -0.01   0.05     0.13   0.09   0.02
     7   1     0.04  -0.07   0.08    -0.03   0.05  -0.06    -0.10   0.29  -0.26
     8   1     0.05  -0.21   0.12    -0.00  -0.00  -0.02     0.06  -0.07   0.13
     9   1    -0.02  -0.09  -0.16    -0.03  -0.05  -0.10     0.11   0.16   0.48
    10   1    -0.07  -0.12  -0.23    -0.04  -0.03  -0.13    -0.10  -0.16  -0.45
    11   6     0.06   0.03   0.03    -0.01   0.01  -0.02    -0.08  -0.09  -0.03
    12   1     0.13   0.28   0.08    -0.05  -0.13  -0.06     0.11   0.08  -0.04
    13   1     0.08   0.01   0.04    -0.02  -0.00   0.05    -0.01   0.00   0.04
    14   1    -0.42  -0.03  -0.35     0.01   0.01  -0.01     0.23   0.02   0.15
    15   1    -0.34  -0.17   0.33    -0.35   0.12  -0.03    -0.10  -0.11   0.13
    16   8     0.01  -0.01  -0.01    -0.17  -0.07   0.00     0.00   0.00   0.00
    17   6    -0.01  -0.06  -0.00    -0.00  -0.00  -0.01    -0.04  -0.03  -0.01
    18   6    -0.02  -0.00  -0.02     0.01  -0.01   0.01     0.01   0.03   0.00
    19   6    -0.02  -0.01   0.01     0.01  -0.01   0.00     0.03   0.02   0.01
    20   1     0.06   0.10   0.08     0.01   0.01  -0.05     0.07   0.12  -0.04
    21   1    -0.04   0.08   0.15    -0.01   0.00  -0.03     0.02  -0.02   0.15
    22   1     0.02   0.04  -0.15     0.01   0.02  -0.04     0.12   0.02  -0.09
    23   1    -0.02  -0.02   0.06    -0.02   0.00  -0.02     0.11   0.03  -0.04
    24   1    -0.08  -0.02   0.04     0.03   0.02  -0.01     0.03  -0.01  -0.05
    25   1     0.05  -0.00  -0.00    -0.04   0.01  -0.00     0.03  -0.02   0.01
    26   1     0.02  -0.07  -0.03    -0.01   0.02  -0.02    -0.04   0.13   0.02
    27   1     0.04   0.02   0.02    -0.01   0.01  -0.00    -0.07   0.04  -0.01
    28   1     0.03   0.03  -0.02     0.02  -0.00  -0.01    -0.02  -0.04   0.02
    29   6     0.00   0.00   0.00     0.43   0.01  -0.02    -0.01   0.00  -0.00
    30   6    -0.00  -0.00   0.00    -0.10  -0.04   0.01     0.00   0.00  -0.00
    31   8    -0.00  -0.00  -0.00    -0.05   0.02  -0.00     0.00  -0.00   0.00
    32   1     0.00   0.00   0.00     0.02   0.22   0.16     0.00  -0.01  -0.01
    33   1    -0.01   0.01   0.00    -0.41   0.47  -0.04     0.01  -0.02   0.00
    34   1     0.00   0.00  -0.00     0.01   0.21  -0.20    -0.00  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1308.0892              1313.3202              1336.6931
 Red. masses --      1.9067                 1.6191                 1.4825
 Frc consts  --      1.9223                 1.6454                 1.5606
 IR Inten    --      0.3603                 6.7086                 5.0582
 RamAct Fr= 1--      3.0483                 1.8086                 4.6433
  Dep-P Fr= 1--      0.6575                 0.7377                 0.7438
  Dep-U Fr= 1--      0.7934                 0.8490                 0.8531
 Alpha2 Fr= 1--      0.0050                 0.0004                 0.0005
 Beta2  Fr= 1--      0.4031                 0.2559                 0.6602
 AlphaG Fr= 1--     -0.0114                -0.0068                 0.0048
 Gamma2 Fr= 1--      0.6355                -0.3399                -0.7304
 Delta2 Fr= 1--      0.9511                -0.3783                -0.8437
 Raman1 Fr= 1--      12.193                  7.234                 18.573
 ROA1   Fr= 1--      91.441                -44.738                -97.117
 CID1   Fr= 1--       7.499                 -6.184                 -5.229
 Raman2 Fr= 1--       4.837                  3.071                  7.922
 ROA2   Fr= 1--       7.642                 -5.132                -10.779
 CID2   Fr= 1--       1.580                 -1.671                 -1.361
 Raman3 Fr= 1--       9.674                  6.142                 15.844
 ROA3   Fr= 1--      91.441                -44.738                -97.117
 CID3   Fr= 1--       9.452                 -7.284                 -6.130
 RC180  Fr= 1--       0.587                  0.698                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.03   0.11  -0.03     0.03  -0.01   0.04
     2   6    -0.01   0.01   0.06    -0.03  -0.06  -0.07     0.00   0.01  -0.02
     3   6     0.14  -0.04  -0.04     0.02  -0.07   0.00    -0.09  -0.12   0.01
     4   6    -0.11  -0.02  -0.05     0.03   0.04   0.01    -0.04   0.03  -0.07
     5   6     0.04   0.04   0.01    -0.05  -0.05   0.07     0.00   0.00   0.03
     6   6     0.04  -0.00  -0.10     0.07  -0.00  -0.05    -0.03  -0.05  -0.01
     7   1     0.09  -0.30   0.12     0.11  -0.34   0.22    -0.08   0.32  -0.08
     8   1    -0.03   0.23  -0.08     0.09  -0.29   0.21    -0.00   0.06  -0.01
     9   1    -0.04  -0.02  -0.17     0.13   0.23   0.44     0.02   0.04   0.04
    10   1    -0.04  -0.14  -0.23     0.05   0.04   0.22    -0.00   0.09   0.10
    11   6    -0.13   0.04   0.05    -0.05   0.03   0.01     0.04   0.04  -0.01
    12   1    -0.20   0.05   0.30     0.01   0.06   0.10     0.45   0.56   0.03
    13   1     0.48  -0.01   0.40    -0.02   0.04  -0.08     0.38   0.04   0.22
    14   1     0.07   0.00   0.09    -0.11  -0.06  -0.05     0.17   0.03   0.11
    15   1    -0.05  -0.02   0.13     0.14   0.26  -0.40     0.19   0.04  -0.07
    16   8    -0.00  -0.01   0.00    -0.01   0.00  -0.00    -0.02   0.00   0.00
    17   6    -0.02   0.00   0.02    -0.02   0.01   0.01     0.01   0.02   0.00
    18   6     0.03  -0.02  -0.01     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    19   6     0.04  -0.01  -0.01     0.02  -0.01   0.01    -0.01   0.00   0.01
    20   1    -0.02   0.00   0.04     0.00   0.03  -0.00    -0.03  -0.05   0.00
    21   1     0.04  -0.04   0.11     0.04  -0.05   0.06     0.01  -0.02  -0.06
    22   1     0.04  -0.04   0.09     0.08  -0.03   0.06    -0.03  -0.01   0.05
    23   1    -0.05  -0.01   0.00    -0.04  -0.01   0.00    -0.05  -0.01   0.02
    24   1     0.07   0.09   0.04     0.02   0.03   0.02    -0.02  -0.02   0.01
    25   1     0.02   0.10  -0.02     0.01   0.04  -0.01    -0.02  -0.01  -0.01
    26   1    -0.03   0.11   0.03    -0.02   0.04  -0.02     0.02  -0.07  -0.04
    27   1    -0.09  -0.06  -0.04    -0.05   0.01  -0.01     0.02  -0.01   0.02
    28   1    -0.05  -0.09   0.04    -0.01  -0.05  -0.01     0.01  -0.01  -0.04
    29   6     0.00  -0.00   0.00     0.04  -0.00  -0.00     0.03  -0.00  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.01   0.03   0.02    -0.01   0.03   0.02
    33   1    -0.00   0.00  -0.00    -0.03   0.04  -0.00    -0.03   0.03  -0.00
    34   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1342.0915              1363.1775              1397.1383
 Red. masses --      1.6697                 1.8310                 1.2701
 Frc consts  --      1.7719                 2.0047                 1.4607
 IR Inten    --      2.9502                 0.4529                48.8070
 RamAct Fr= 1--      3.1370                 1.1961                 1.5339
  Dep-P Fr= 1--      0.5212                 0.7427                 0.5660
  Dep-U Fr= 1--      0.6853                 0.8523                 0.7229
 Alpha2 Fr= 1--      0.0140                 0.0001                 0.0053
 Beta2  Fr= 1--      0.3583                 0.1699                 0.1848
 AlphaG Fr= 1--     -0.0083                -0.0055                -0.0244
 Gamma2 Fr= 1--      0.7900                 0.3272                 0.0392
 Delta2 Fr= 1--      0.5291                 0.5263                -0.0395
 Raman1 Fr= 1--      12.548                  4.784                  6.136
 ROA1   Fr= 1--      92.770                 48.249                  2.501
 CID1   Fr= 1--       7.393                 10.085                  0.408
 Raman2 Fr= 1--       4.299                  2.039                  2.218
 ROA2   Fr= 1--      14.727                  3.642                  1.258
 CID2   Fr= 1--       3.425                  1.786                  0.567
 Raman3 Fr= 1--       8.599                  4.078                  4.435
 ROA3   Fr= 1--      92.770                 48.249                  2.501
 CID3   Fr= 1--      10.789                 11.832                  0.564
 RC180  Fr= 1--       0.371                  0.705                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.07  -0.08    -0.01   0.05  -0.01     0.00   0.00  -0.00
     2   6     0.02  -0.01   0.04    -0.02  -0.04  -0.11     0.00  -0.00  -0.01
     3   6    -0.02   0.03   0.12     0.03  -0.01  -0.01    -0.01  -0.01   0.00
     4   6    -0.06  -0.01  -0.07    -0.04  -0.03  -0.02    -0.01   0.01  -0.01
     5   6     0.00   0.00   0.01     0.05   0.07  -0.10     0.04  -0.01   0.02
     6   6    -0.04   0.05  -0.04    -0.01  -0.03   0.17    -0.01   0.00   0.01
     7   1     0.07  -0.33   0.21     0.06  -0.16   0.10    -0.00   0.00   0.01
     8   1     0.12  -0.39   0.20     0.02  -0.08   0.05     0.00  -0.02   0.01
     9   1    -0.03  -0.08  -0.14     0.06   0.08   0.29    -0.00  -0.02   0.01
    10   1    -0.04  -0.05  -0.11     0.11   0.18   0.47     0.01   0.02   0.04
    11   6     0.08  -0.05  -0.04    -0.02   0.02  -0.05     0.00   0.00  -0.00
    12   1     0.24  -0.30  -0.30    -0.06  -0.00   0.07     0.04   0.02  -0.01
    13   1     0.17   0.01   0.23     0.18  -0.03   0.17     0.03   0.01   0.01
    14   1     0.29   0.01   0.23     0.05   0.03   0.02     0.05  -0.00   0.06
    15   1     0.11  -0.07   0.07    -0.09  -0.36   0.52    -0.35   0.18  -0.11
    16   8    -0.00   0.01   0.00    -0.01  -0.00   0.01    -0.01  -0.02  -0.01
    17   6     0.02  -0.02   0.01    -0.00   0.01  -0.04     0.01   0.00  -0.00
    18   6    -0.03   0.01   0.02     0.02  -0.01   0.02    -0.01  -0.01   0.00
    19   6    -0.03   0.02   0.01     0.01  -0.01   0.02     0.00  -0.02  -0.00
    20   1     0.00  -0.00   0.08     0.01   0.00  -0.09    -0.00  -0.01   0.00
    21   1    -0.03   0.07   0.01    -0.02   0.01  -0.07    -0.01   0.01  -0.00
    22   1    -0.06   0.00  -0.02    -0.02   0.02  -0.06    -0.02  -0.00   0.00
    23   1     0.07   0.02  -0.02    -0.04   0.02  -0.06     0.05  -0.00  -0.01
    24   1     0.01  -0.04  -0.07     0.02  -0.01  -0.00     0.04   0.04  -0.02
    25   1     0.02  -0.08   0.03    -0.08   0.03  -0.01     0.05   0.02   0.02
    26   1     0.03  -0.07  -0.02    -0.02   0.03  -0.05    -0.05   0.07   0.01
    27   1     0.08   0.00   0.03    -0.06   0.05  -0.00    -0.01   0.08  -0.01
    28   1     0.03   0.02  -0.06     0.01  -0.03  -0.01     0.04   0.09   0.04
    29   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.04   0.01  -0.00
    30   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.11   0.09  -0.00
    31   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    32   1    -0.01   0.00   0.00     0.01  -0.01  -0.00     0.40  -0.28  -0.20
    33   1    -0.01   0.01  -0.00     0.00  -0.01   0.01     0.19  -0.40   0.02
    34   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.42  -0.25   0.22
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1406.4222              1413.0039              1419.5499
 Red. masses --      1.2651                 1.2839                 1.2851
 Frc consts  --      1.4744                 1.5103                 1.5257
 IR Inten    --     10.2186                 6.0446                19.5896
 RamAct Fr= 1--      0.5295                 0.2450                 2.4610
  Dep-P Fr= 1--      0.6490                 0.1673                 0.7471
  Dep-U Fr= 1--      0.7871                 0.2866                 0.8553
 Alpha2 Fr= 1--      0.0010                 0.0036                 0.0001
 Beta2  Fr= 1--      0.0695                 0.0117                 0.3508
 AlphaG Fr= 1--      0.0036                 0.0022                 0.0050
 Gamma2 Fr= 1--      0.2764                -0.0390                -1.3889
 Delta2 Fr= 1--      0.0383                -0.0282                -0.7517
 Raman1 Fr= 1--       2.118                  0.980                  9.844
 ROA1   Fr= 1--      27.761                 -4.643               -157.392
 CID1   Fr= 1--      13.108                 -4.737                -15.988
 Raman2 Fr= 1--       0.834                  0.140                  4.210
 ROA2   Fr= 1--       6.328                 -0.710                -27.321
 CID2   Fr= 1--       7.591                 -5.053                 -6.490
 Raman3 Fr= 1--       1.667                  0.281                  8.419
 ROA3   Fr= 1--      27.761                 -4.643               -157.392
 CID3   Fr= 1--      16.653                -16.527                -18.694
 RC180  Fr= 1--       0.574                 -0.427                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.01
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.01
     4   6    -0.01   0.01  -0.00     0.00   0.00   0.00     0.03  -0.01   0.01
     5   6     0.03  -0.00   0.01     0.01  -0.00  -0.00    -0.09   0.01  -0.03
     6   6    -0.02  -0.01   0.01    -0.00  -0.00   0.04     0.02  -0.01  -0.02
     7   1     0.01   0.00  -0.01    -0.01   0.01  -0.01     0.01  -0.00  -0.03
     8   1    -0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.03   0.02  -0.03
     9   1    -0.02  -0.05   0.02    -0.00  -0.00  -0.01     0.00   0.02  -0.01
    10   1     0.03   0.00   0.04    -0.00   0.02   0.01    -0.02  -0.02  -0.06
    11   6     0.02   0.02  -0.00     0.00  -0.01  -0.01     0.01   0.01   0.00
    12   1     0.03   0.03  -0.00     0.00  -0.00  -0.01    -0.04  -0.00   0.03
    13   1     0.02   0.01   0.01    -0.00   0.00  -0.03    -0.06  -0.01   0.04
    14   1     0.03  -0.02   0.04     0.01   0.02   0.00    -0.12  -0.04  -0.10
    15   1    -0.21   0.10  -0.05    -0.11   0.04  -0.02     0.68  -0.31   0.18
    16   8     0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
    17   6     0.01   0.01  -0.01    -0.00   0.02  -0.14    -0.01   0.01  -0.00
    18   6    -0.09  -0.04   0.01    -0.01  -0.00   0.00    -0.07  -0.03   0.01
    19   6     0.01  -0.08  -0.03    -0.01   0.03   0.02    -0.00   0.01  -0.00
    20   1    -0.04  -0.04   0.03    -0.20   0.03   0.52    -0.02  -0.01   0.03
    21   1     0.03  -0.00   0.03     0.22  -0.00   0.48     0.04  -0.05   0.03
    22   1    -0.03  -0.01   0.02     0.03  -0.30   0.43     0.04  -0.01   0.02
    23   1     0.34  -0.01  -0.09     0.04  -0.00  -0.01     0.25  -0.01  -0.08
    24   1     0.27   0.23  -0.17     0.05   0.02  -0.05     0.20   0.16  -0.15
    25   1     0.35   0.14   0.11     0.06  -0.01   0.02     0.27   0.10   0.09
    26   1    -0.17   0.26   0.13     0.06  -0.10  -0.06     0.04  -0.04   0.05
    27   1    -0.03   0.36  -0.03     0.05  -0.17   0.02     0.02   0.02   0.00
    28   1     0.07   0.29   0.22     0.01  -0.11  -0.14    -0.06  -0.06   0.01
    29   6    -0.03   0.00   0.00    -0.01   0.00   0.00     0.06  -0.01  -0.00
    30   6     0.04  -0.03   0.00     0.00  -0.00   0.00    -0.05   0.03  -0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
    32   1    -0.14   0.09   0.06    -0.01   0.00   0.00     0.14  -0.07  -0.06
    33   1    -0.06   0.13  -0.01    -0.00   0.01  -0.00     0.05  -0.12   0.01
    34   1    -0.14   0.08  -0.07    -0.01   0.00  -0.00     0.14  -0.06   0.06
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1430.7571              1471.5742              1478.0995
 Red. masses --      1.2070                 1.0519                 1.0460
 Frc consts  --      1.4557                 1.3421                 1.3464
 IR Inten    --      6.2919                12.2609                 9.0625
 RamAct Fr= 1--      0.6927                 4.8843                 4.1269
  Dep-P Fr= 1--      0.3782                 0.6153                 0.7500
  Dep-U Fr= 1--      0.5489                 0.7618                 0.8571
 Alpha2 Fr= 1--      0.0055                 0.0121                 0.0000
 Beta2  Fr= 1--      0.0634                 0.6202                 0.5895
 AlphaG Fr= 1--      0.0154                 0.0021                 0.0000
 Gamma2 Fr= 1--     -0.3277                -0.0081                 0.0274
 Delta2 Fr= 1--     -0.3250                -0.0762                 0.1162
 Raman1 Fr= 1--       2.771                 19.537                 16.508
 ROA1   Fr= 1--     -41.862                 -3.216                  6.350
 CID1   Fr= 1--     -15.107                 -0.165                  0.385
 Raman2 Fr= 1--       0.760                  7.442                  7.074
 ROA2   Fr= 1--      -5.266                  0.415                 -0.271
 CID2   Fr= 1--      -6.925                  0.056                 -0.038
 Raman3 Fr= 1--       1.521                 14.884                 14.149
 ROA3   Fr= 1--     -41.862                 -3.216                  6.350
 CID3   Fr= 1--     -27.524                 -0.216                  0.449
 RC180  Fr= 1--       0.098                  0.524                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   1    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.02  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.02   0.03  -0.06     0.00   0.00  -0.00    -0.00  -0.01   0.00
    10   1    -0.05   0.02  -0.04    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    11   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.02  -0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.06   0.01   0.06     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1    -0.02  -0.07   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    15   1     0.26  -0.12   0.06    -0.01   0.00   0.00     0.00   0.00  -0.00
    16   8    -0.01   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   6     0.00   0.01  -0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.07   0.02  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6     0.01  -0.09  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1    -0.06  -0.01   0.15    -0.00  -0.01  -0.00     0.01   0.01  -0.00
    21   1     0.06   0.02   0.18     0.00   0.00   0.01    -0.01   0.01   0.00
    22   1    -0.03  -0.10   0.14    -0.01   0.00  -0.00    -0.01  -0.01   0.01
    23   1    -0.27   0.01   0.07    -0.00  -0.00   0.00     0.00  -0.00   0.01
    24   1    -0.22  -0.18   0.15    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.28  -0.10  -0.09    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1    -0.16   0.26   0.20    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1    -0.05   0.45  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.01   0.27   0.30     0.00   0.00  -0.00     0.00   0.00   0.00
    29   6     0.02  -0.00  -0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.02
    30   6    -0.01   0.01  -0.00    -0.04  -0.03   0.00    -0.00  -0.00  -0.05
    31   8    -0.00  -0.00   0.00     0.00  -0.02   0.00    -0.00  -0.00   0.00
    32   1     0.03  -0.01  -0.01     0.22   0.49   0.32     0.49   0.10   0.04
    33   1     0.01  -0.03  -0.00     0.20  -0.41   0.01     0.03   0.04   0.72
    34   1     0.03  -0.01   0.01     0.22   0.44  -0.41    -0.46  -0.07   0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1484.9441              1488.7361              1496.5086
 Red. masses --      1.0625                 1.0552                 1.0502
 Frc consts  --      1.3804                 1.3780                 1.3858
 IR Inten    --      0.1744                 2.6765                 3.5817
 RamAct Fr= 1--      9.8112                 1.1319                 5.5417
  Dep-P Fr= 1--      0.7485                 0.7323                 0.7485
  Dep-U Fr= 1--      0.8562                 0.8455                 0.8561
 Alpha2 Fr= 1--      0.0002                 0.0003                 0.0001
 Beta2  Fr= 1--      1.4000                 0.1595                 0.7907
 AlphaG Fr= 1--     -0.0027                -0.0009                -0.0016
 Gamma2 Fr= 1--      1.2203                 0.6767                -0.5435
 Delta2 Fr= 1--      0.5025                 0.3081                -0.5337
 Raman1 Fr= 1--      39.245                  4.528                 22.167
 ROA1   Fr= 1--     133.224                 74.824                -69.257
 CID1   Fr= 1--       3.395                 16.526                 -3.124
 Raman2 Fr= 1--      16.800                  1.914                  9.489
 ROA2   Fr= 1--      25.266                 13.776                 -8.775
 CID2   Fr= 1--       1.504                  7.197                 -0.925
 Raman3 Fr= 1--      33.601                  3.828                 18.978
 ROA3   Fr= 1--     133.224                 74.824                -69.257
 CID3   Fr= 1--       3.965                 19.546                 -3.649
 RC180  Fr= 1--       0.712                  0.691                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     2   6     0.00  -0.01   0.00    -0.01   0.03  -0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.02   0.02  -0.03     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.03   0.01   0.00
     7   1     0.11  -0.08  -0.22    -0.05   0.04   0.10    -0.00  -0.00   0.02
     8   1    -0.20  -0.13  -0.13     0.08   0.07   0.05     0.01   0.00   0.00
     9   1     0.04   0.08  -0.04    -0.12  -0.22   0.12    -0.01  -0.03  -0.03
    10   1    -0.07   0.07  -0.00     0.20  -0.17   0.03     0.01   0.00   0.02
    11   6    -0.01  -0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.02   0.00     0.00   0.01   0.01     0.01  -0.00  -0.01
    13   1    -0.18   0.04   0.25    -0.04   0.01   0.05     0.00  -0.00   0.01
    14   1    -0.06  -0.29   0.10    -0.02  -0.07   0.02     0.00  -0.00   0.00
    15   1    -0.07   0.03  -0.01     0.07  -0.02   0.01     0.00  -0.01   0.02
    16   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.01    -0.04   0.02   0.01
    18   6     0.01  -0.02   0.02     0.00  -0.02  -0.03     0.01   0.00  -0.00
    19   6    -0.03   0.00  -0.02    -0.02  -0.01   0.01    -0.01  -0.01   0.01
    20   1     0.06   0.10   0.01     0.13   0.19  -0.01    -0.11   0.06   0.35
    21   1    -0.05   0.05  -0.05    -0.13   0.17  -0.04     0.19  -0.50  -0.30
    22   1     0.05  -0.03   0.04     0.03  -0.09   0.13     0.60   0.10  -0.17
    23   1     0.00   0.09  -0.35     0.31  -0.09   0.20    -0.03  -0.00   0.02
    24   1    -0.13  -0.14   0.06    -0.04   0.35   0.37    -0.01  -0.01   0.00
    25   1    -0.02   0.36  -0.02    -0.29   0.08  -0.10    -0.01  -0.03  -0.01
    26   1     0.03   0.00   0.33    -0.12   0.17  -0.01    -0.10   0.13  -0.04
    27   1     0.37   0.07   0.08     0.20  -0.09   0.06     0.08  -0.05   0.02
    28   1    -0.01  -0.15  -0.17     0.20   0.09  -0.21     0.14   0.10  -0.10
    29   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.00    -0.01   0.00  -0.00     0.01   0.01   0.00
    33   1     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.01
    34   1    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1500.4883              1503.0821              1508.2507
 Red. masses --      1.0660                 1.0626                 1.0553
 Frc consts  --      1.4141                 1.4144                 1.4144
 IR Inten    --     10.6953                 7.6098                 1.1503
 RamAct Fr= 1--      1.6507                 0.9973                 2.9657
  Dep-P Fr= 1--      0.6539                 0.7298                 0.7083
  Dep-U Fr= 1--      0.7907                 0.8438                 0.8293
 Alpha2 Fr= 1--      0.0028                 0.0003                 0.0021
 Beta2  Fr= 1--      0.2175                 0.1403                 0.4099
 AlphaG Fr= 1--     -0.0138                 0.0041                -0.0072
 Gamma2 Fr= 1--     -0.4830                 1.0134                 0.7334
 Delta2 Fr= 1--      0.0692                 0.2368                 0.5088
 Raman1 Fr= 1--       6.603                  3.989                 11.863
 ROA1   Fr= 1--     -44.152                104.868                 86.688
 CID1   Fr= 1--      -6.687                 26.287                  7.308
 Raman2 Fr= 1--       2.611                  1.683                  4.919
 ROA2   Fr= 1--     -12.146                 22.428                 13.531
 CID2   Fr= 1--      -4.653                 13.326                  2.751
 Raman3 Fr= 1--       5.221                  3.366                  9.837
 ROA3   Fr= 1--     -44.152                104.868                 86.688
 CID3   Fr= 1--      -8.457                 31.154                  8.812
 RC180  Fr= 1--       0.581                  0.688                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.01  -0.02  -0.03     0.01   0.01   0.02
     2   6     0.00  -0.00   0.00    -0.01   0.03  -0.02     0.01  -0.01   0.01
     3   6    -0.00  -0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     4   6    -0.03  -0.03   0.04     0.01   0.01  -0.01     0.01   0.01  -0.02
     5   6    -0.01  -0.00   0.00     0.01   0.00   0.00     0.01   0.01  -0.00
     6   6    -0.01  -0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.03  -0.00
     7   1    -0.04   0.03   0.08    -0.13   0.11   0.26     0.08  -0.06  -0.17
     8   1     0.06   0.03   0.05     0.23   0.16   0.14    -0.14  -0.09  -0.10
     9   1     0.01   0.02  -0.02    -0.13  -0.25   0.13     0.05   0.10  -0.07
    10   1    -0.02   0.02  -0.01     0.24  -0.20   0.05    -0.09   0.10   0.00
    11   6     0.01  -0.00   0.00    -0.01   0.02  -0.01     0.00   0.01   0.01
    12   1     0.01  -0.02  -0.01    -0.01   0.02   0.01    -0.00   0.00  -0.00
    13   1     0.30  -0.06  -0.38    -0.11   0.02   0.15    -0.13   0.03   0.17
    14   1     0.10   0.44  -0.14    -0.04  -0.18   0.05    -0.04  -0.19   0.06
    15   1     0.04  -0.01  -0.01    -0.06   0.03  -0.01     0.02   0.00  -0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.03  -0.01
    18   6     0.00  -0.01   0.02    -0.00   0.02   0.01    -0.01   0.02  -0.00
    19   6    -0.00  -0.01  -0.01    -0.00   0.01  -0.03     0.02  -0.01   0.02
    20   1     0.20   0.34   0.07     0.08   0.15   0.05     0.26   0.41   0.04
    21   1    -0.17   0.16  -0.13    -0.06   0.03  -0.09    -0.23   0.23  -0.17
    22   1     0.20  -0.12   0.17     0.14  -0.04   0.05     0.20  -0.15   0.21
    23   1    -0.01   0.08  -0.28    -0.17   0.00   0.06    -0.11  -0.03   0.14
    24   1    -0.08  -0.14  -0.00     0.09  -0.10  -0.22     0.09  -0.03  -0.16
    25   1     0.03   0.24   0.00     0.14  -0.21   0.06     0.12  -0.23   0.05
    26   1     0.01   0.00   0.11     0.15  -0.16   0.31    -0.06   0.04  -0.28
    27   1     0.03   0.08   0.00     0.10   0.19   0.01    -0.23  -0.11  -0.05
    28   1    -0.04  -0.01   0.04    -0.21  -0.22   0.08     0.07   0.14   0.06
    29   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    34   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1513.4308              1523.1423              1528.4381
 Red. masses --      1.0710                 1.0621                 1.0850
 Frc consts  --      1.4454                 1.4518                 1.4934
 IR Inten    --      3.0945                 7.4278                 9.6850
 RamAct Fr= 1--      6.3667                 2.1646                 5.8026
  Dep-P Fr= 1--      0.5541                 0.7242                 0.6296
  Dep-U Fr= 1--      0.7131                 0.8401                 0.7727
 Alpha2 Fr= 1--      0.0238                 0.0010                 0.0127
 Beta2  Fr= 1--      0.7567                 0.3031                 0.7473
 AlphaG Fr= 1--      0.0010                -0.0031                 0.0130
 Gamma2 Fr= 1--     -1.5644                -1.3022                -1.1819
 Delta2 Fr= 1--     -0.4668                -0.8022                -0.3627
 Raman1 Fr= 1--      25.467                  8.658                 23.210
 ROA1   Fr= 1--    -165.123               -150.678               -125.072
 CID1   Fr= 1--      -6.484                -17.403                 -5.389
 Raman2 Fr= 1--       9.080                  3.637                  8.967
 ROA2   Fr= 1--     -33.812                -24.835                -25.465
 CID2   Fr= 1--      -3.724                 -6.829                 -2.840
 Raman3 Fr= 1--      18.160                  7.274                 17.934
 ROA3   Fr= 1--    -165.123               -150.678               -125.072
 CID3   Fr= 1--      -9.093                -20.716                 -6.974
 RC180  Fr= 1--       0.426                  0.680                  0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.02     0.00  -0.00   0.00    -0.01  -0.04  -0.04
     2   6     0.00  -0.03   0.01     0.01  -0.04   0.01     0.01  -0.04   0.01
     3   6     0.01   0.00  -0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     4   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.02   0.01  -0.01
     5   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     6   6     0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.01
     7   1    -0.08   0.06   0.14     0.02  -0.02  -0.03    -0.21   0.16   0.40
     8   1     0.13   0.09   0.08    -0.02  -0.02  -0.01     0.35   0.25   0.21
     9   1     0.10   0.18  -0.08     0.16   0.30  -0.15     0.14   0.25  -0.14
    10   1    -0.16   0.14  -0.02    -0.28   0.25  -0.02    -0.24   0.21  -0.03
    11   6    -0.04   0.02   0.01    -0.00   0.01  -0.03     0.01  -0.01   0.01
    12   1    -0.03   0.00   0.02    -0.01  -0.01   0.01    -0.01  -0.01  -0.02
    13   1     0.03  -0.01  -0.07     0.05  -0.01  -0.06    -0.15   0.03   0.18
    14   1     0.01   0.06  -0.03     0.03   0.07  -0.01    -0.06  -0.21   0.06
    15   1     0.03  -0.03   0.02    -0.07   0.02  -0.01    -0.02   0.01   0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.01  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.02   0.00    -0.01  -0.00  -0.03    -0.01  -0.02   0.01
    19   6    -0.03  -0.02   0.01    -0.00   0.01  -0.02     0.01   0.01   0.01
    20   1     0.02  -0.04  -0.11     0.03   0.08   0.04     0.02   0.03   0.01
    21   1    -0.04   0.09   0.05    -0.02  -0.02  -0.07    -0.01   0.01  -0.02
    22   1    -0.14   0.01  -0.00     0.11  -0.01   0.01     0.02  -0.01   0.01
    23   1    -0.18  -0.01   0.10     0.20  -0.11   0.36     0.13   0.04  -0.21
    24   1     0.11  -0.09  -0.24     0.10   0.32   0.15    -0.07  -0.00   0.10
    25   1     0.18  -0.24   0.06    -0.14  -0.20  -0.04    -0.03   0.27  -0.02
    26   1    -0.18   0.29   0.14     0.15  -0.16   0.31     0.01  -0.04  -0.17
    27   1     0.43  -0.11   0.11     0.11   0.21   0.01    -0.17  -0.07  -0.04
    28   1     0.28   0.06  -0.37    -0.21  -0.22   0.07    -0.01   0.05   0.07
    29   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    34   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1788.9246              3029.7172              3033.5596
 Red. masses --     11.1076                 1.0352                 1.0402
 Frc consts  --     20.9438                 5.5985                 5.6400
 IR Inten    --    241.8387                22.2010                11.2107
 RamAct Fr= 1--      8.9696                75.3040                 7.2448
  Dep-P Fr= 1--      0.2008                 0.0117                 0.7480
  Dep-U Fr= 1--      0.3345                 0.0231                 0.8558
 Alpha2 Fr= 1--      0.1215                 1.6283                 0.0002
 Beta2  Fr= 1--      0.5000                 0.2898                 1.0334
 AlphaG Fr= 1--     -0.0445                -0.1517                 0.0019
 Gamma2 Fr= 1--     -0.5557                -0.5427                 0.2919
 Delta2 Fr= 1--     -0.0457                -1.5284                 0.7019
 Raman1 Fr= 1--      35.878                301.216                 28.979
 ROA1   Fr= 1--     -54.808               -101.008                 50.484
 CID1   Fr= 1--      -1.528                 -0.335                  1.742
 Raman2 Fr= 1--       6.000                  3.477                 12.401
 ROA2   Fr= 1--     -12.971                 -0.798                  1.390
 CID2   Fr= 1--      -2.162                 -0.229                  0.112
 Raman3 Fr= 1--      12.001                  6.954                 24.801
 ROA3   Fr= 1--     -54.808               -101.008                 50.484
 CID3   Fr= 1--      -4.567                -14.525                  2.036
 RC180  Fr= 1--      -0.331                 -0.954                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.02   0.03  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00   0.01
     9   1    -0.01  -0.02   0.01    -0.02   0.01   0.00    -0.01   0.00   0.00
    10   1     0.01  -0.02   0.00     0.03   0.03  -0.02     0.01   0.01  -0.01
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.01   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.05   0.00   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   1     0.01   0.03  -0.02    -0.00   0.00   0.00     0.01  -0.00  -0.01
    15   1     0.14   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.01
    16   8     0.00  -0.05   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.00  -0.05    -0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.01   0.00   0.00     0.04  -0.00  -0.01
    19   6     0.00  -0.00   0.00    -0.00   0.01   0.00    -0.02   0.03   0.01
    20   1    -0.01  -0.00   0.01     0.44  -0.29   0.13    -0.02   0.01  -0.00
    21   1     0.00  -0.01  -0.00    -0.44  -0.28   0.15     0.03   0.02  -0.01
    22   1     0.01  -0.00   0.01     0.01   0.53   0.30    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00     0.00   0.03   0.01     0.00  -0.23  -0.07
    24   1     0.01   0.01  -0.00     0.04  -0.03   0.03    -0.34   0.25  -0.27
    25   1    -0.00  -0.00   0.00     0.02  -0.00  -0.07    -0.11   0.03   0.45
    26   1    -0.00   0.00  -0.00    -0.04  -0.02   0.01    -0.20  -0.11   0.03
    27   1    -0.00   0.00   0.00     0.03   0.00  -0.11     0.10   0.01  -0.44
    28   1     0.00  -0.00  -0.00     0.07  -0.04   0.05     0.34  -0.22   0.23
    29   6     0.00   0.76  -0.08    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.03  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8    -0.03  -0.48   0.05     0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.05  -0.17  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.12   0.25  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.05  -0.15   0.09     0.00   0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3040.1271              3054.5447              3055.9499
 Red. masses --      1.0402                 1.0366                 1.0609
 Frc consts  --      5.6643                 5.6983                 5.8374
 IR Inten    --     51.8768                 2.5299                29.8673
 RamAct Fr= 1--    334.9466               177.2706                75.1861
  Dep-P Fr= 1--      0.0324                 0.0063                 0.3214
  Dep-U Fr= 1--      0.0627                 0.0126                 0.4864
 Alpha2 Fr= 1--      6.8987                 3.8814                 0.7226
 Beta2  Fr= 1--      3.5007                 0.3724                 6.0956
 AlphaG Fr= 1--     -0.0993                 0.0405                -0.0103
 Gamma2 Fr= 1--     -0.2798                 0.0498                -4.0816
 Delta2 Fr= 1--      1.9721                -0.1536                -3.3638
 Raman1 Fr= 1--    1339.786                709.082                300.744
 ROA1   Fr= 1--      36.252                 -0.140               -499.474
 CID1   Fr= 1--       0.027                 -0.000                 -1.661
 Raman2 Fr= 1--      42.009                  4.469                 73.147
 ROA2   Fr= 1--     -22.491                  2.423                -71.047
 CID2   Fr= 1--      -0.535                  0.542                 -0.971
 Raman3 Fr= 1--      84.018                  8.938                146.295
 ROA3   Fr= 1--      36.252                 -0.140               -499.474
 CID3   Fr= 1--       0.431                 -0.016                 -3.414
 RC180  Fr= 1--      -0.875                 -0.975                 -0.027
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.05
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.02  -0.01
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   1     0.03   0.01   0.01     0.00   0.00   0.00     0.58   0.26   0.14
     8   1    -0.02   0.00   0.02    -0.00   0.00   0.00    -0.46   0.14   0.48
     9   1    -0.02   0.01   0.00     0.00  -0.00  -0.00     0.11  -0.05  -0.01
    10   1     0.03   0.03  -0.02     0.00  -0.00  -0.00    -0.16  -0.15   0.09
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.03  -0.02   0.03    -0.00   0.00  -0.00    -0.12   0.10  -0.15
    13   1    -0.00  -0.02   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    14   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    15   1    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   8     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.04  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    19   6     0.02  -0.03  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.09  -0.06   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1    -0.08  -0.05   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.09   0.05     0.00   0.00   0.00     0.00   0.02   0.01
    23   1     0.00  -0.22  -0.06    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    24   1    -0.32   0.24  -0.26    -0.00   0.00  -0.00     0.02  -0.01   0.01
    25   1    -0.10   0.03   0.41    -0.00   0.00   0.00     0.00   0.00  -0.01
    26   1     0.21   0.12  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    27   1    -0.10  -0.01   0.44    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.35   0.23  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00   0.00    -0.02   0.04  -0.00     0.00  -0.00   0.00
    31   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.00  -0.00    -0.02  -0.32   0.54     0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.35   0.22  -0.03    -0.00  -0.00   0.00
    34   1     0.00   0.00   0.00    -0.05  -0.42  -0.51     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3067.5574              3069.4327              3080.4378
 Red. masses --      1.0702                 1.0676                 1.1012
 Frc consts  --      5.9336                 5.9263                 6.1567
 IR Inten    --     34.6101                11.7044                 1.3800
 RamAct Fr= 1--    103.9857                56.4646                 4.4885
  Dep-P Fr= 1--      0.0689                 0.3619                 0.5362
  Dep-U Fr= 1--      0.1289                 0.5315                 0.6981
 Alpha2 Fr= 1--      1.9632                 0.4767                 0.0185
 Beta2  Fr= 1--      2.2348                 5.0019                 0.5222
 AlphaG Fr= 1--      0.0621                -0.0357                 0.0646
 Gamma2 Fr= 1--      4.6578                 8.5765                -7.2047
 Delta2 Fr= 1--      3.8672                 3.2654                -4.6437
 Raman1 Fr= 1--     415.943                225.859                 17.954
 ROA1   Fr= 1--     570.896                927.835               -840.244
 CID1   Fr= 1--       1.373                  4.108                -46.800
 Raman2 Fr= 1--      26.817                 60.022                  6.267
 ROA2   Fr= 1--      80.848                179.712               -135.763
 CID2   Fr= 1--       3.015                  2.994                -21.663
 Raman3 Fr= 1--      53.634                120.045                 12.534
 ROA3   Fr= 1--     570.896                927.835               -840.244
 CID3   Fr= 1--      10.644                  7.729                -67.038
 RC180  Fr= 1--      -0.742                  0.063                  0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01  -0.00   0.01     0.00   0.00  -0.00
     2   6    -0.03  -0.06   0.03    -0.00  -0.01   0.00    -0.00  -0.00   0.00
     3   6     0.01  -0.00   0.01     0.02  -0.02   0.03    -0.00   0.00  -0.00
     4   6    -0.01  -0.00   0.01     0.04   0.02  -0.04     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.02   0.01   0.00     0.06   0.03   0.02    -0.03  -0.01  -0.01
     8   1    -0.19   0.06   0.21     0.09  -0.03  -0.09    -0.03   0.01   0.03
     9   1    -0.27   0.12   0.02    -0.06   0.03   0.00     0.01  -0.00  -0.00
    10   1     0.59   0.55  -0.35     0.06   0.05  -0.03     0.01   0.01  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.07   0.05  -0.08    -0.25   0.21  -0.32     0.01  -0.01   0.02
    13   1     0.00   0.06  -0.00    -0.01  -0.48   0.03    -0.00  -0.03   0.00
    14   1     0.07  -0.05  -0.08    -0.43   0.29   0.49    -0.02   0.02   0.03
    15   1     0.00   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    16   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
    18   6    -0.00   0.01   0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.06
    19   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02   0.06
    20   1    -0.03   0.02  -0.01     0.01  -0.01   0.00    -0.04   0.02  -0.01
    21   1    -0.02  -0.01   0.00    -0.00   0.00  -0.00     0.12   0.07  -0.04
    22   1     0.00  -0.06  -0.04    -0.00  -0.02  -0.01     0.00   0.14   0.08
    23   1    -0.00  -0.04  -0.01    -0.00  -0.02  -0.01    -0.00  -0.01  -0.02
    24   1     0.03  -0.02   0.03     0.00  -0.00   0.00     0.33  -0.24   0.25
    25   1     0.01  -0.00  -0.04    -0.00   0.00   0.01    -0.13   0.04   0.48
    26   1    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.00  -0.01   0.02
    27   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.12  -0.00  -0.47
    28   1     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.35   0.23  -0.23
    29   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    34   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3081.7172              3086.5526              3088.2269
 Red. masses --      1.0833                 1.1003                 1.1005
 Frc consts  --      6.0618                 6.1762                 6.1836
 IR Inten    --     37.5755                61.2116                30.9320
 RamAct Fr= 1--    252.0573                29.2771               101.9845
  Dep-P Fr= 1--      0.0624                 0.7328                 0.3802
  Dep-U Fr= 1--      0.1175                 0.8458                 0.5510
 Alpha2 Fr= 1--      4.8331                 0.0086                 0.8095
 Beta2  Fr= 1--      4.9380                 4.1272                 9.3651
 AlphaG Fr= 1--     -0.1027                 0.0028                -0.4774
 Gamma2 Fr= 1--      7.8688                15.8116               -19.6878
 Delta2 Fr= 1--      1.6512                 2.4218                -2.0614
 Raman1 Fr= 1--    1008.229                117.108                407.938
 ROA1   Fr= 1--     808.247               1595.410              -1955.997
 CID1   Fr= 1--       0.802                 13.623                 -4.795
 Raman2 Fr= 1--      59.255                 49.526                112.381
 ROA2   Fr= 1--     175.642                360.103               -456.016
 CID2   Fr= 1--       2.964                  7.271                 -4.058
 Raman3 Fr= 1--     118.511                 99.052                224.762
 ROA3   Fr= 1--     808.247               1595.410              -1955.997
 CID3   Fr= 1--       6.820                 16.107                 -8.703
 RC180  Fr= 1--      -0.765                  0.692                  0.102
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.01   0.00  -0.00    -0.08  -0.01   0.02
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
     3   6    -0.04   0.03  -0.05    -0.00   0.00  -0.01    -0.01   0.01  -0.02
     4   6     0.02   0.00  -0.03     0.00   0.00  -0.00     0.00  -0.01  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.01  -0.00  -0.01    -0.09  -0.04  -0.03     0.63   0.29   0.18
     8   1    -0.21   0.07   0.23    -0.07   0.03   0.08     0.33  -0.12  -0.37
     9   1     0.05  -0.03  -0.00     0.04  -0.02  -0.00    -0.27   0.13   0.01
    10   1     0.06   0.06  -0.03    -0.01  -0.01   0.01     0.06   0.05  -0.03
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.44  -0.36   0.54     0.06  -0.05   0.07     0.15  -0.12   0.18
    13   1    -0.01  -0.20   0.01    -0.00  -0.02   0.00     0.00   0.10  -0.01
    14   1    -0.27   0.18   0.30    -0.02   0.02   0.03    -0.01   0.01   0.02
    15   1     0.00   0.02   0.01     0.00   0.01   0.01     0.01   0.03   0.02
    16   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    17   6     0.01  -0.00   0.00    -0.03   0.04   0.00    -0.01   0.01   0.00
    18   6     0.00  -0.00   0.01    -0.01   0.01  -0.05    -0.00   0.01  -0.01
    19   6    -0.00   0.00   0.01    -0.02   0.01  -0.04     0.00   0.00  -0.00
    20   1    -0.05   0.03  -0.02     0.37  -0.24   0.12     0.06  -0.04   0.02
    21   1    -0.03  -0.02   0.01     0.06   0.05  -0.02     0.00   0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01  -0.27  -0.15    -0.00  -0.07  -0.04
    23   1     0.00   0.01   0.01    -0.00   0.01  -0.01    -0.00  -0.07  -0.02
    24   1    -0.04   0.03  -0.03     0.28  -0.20   0.21     0.07  -0.05   0.05
    25   1     0.03  -0.01  -0.12    -0.12   0.03   0.42    -0.01   0.01   0.03
    26   1    -0.01  -0.00   0.00     0.01   0.01  -0.01    -0.03  -0.02   0.00
    27   1     0.02  -0.00  -0.07    -0.09   0.00   0.36    -0.00   0.00   0.01
    28   1    -0.00   0.00  -0.00     0.28  -0.18   0.18     0.01  -0.01   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3089.2548              3092.8392              3099.9202
 Red. masses --      1.1004                 1.1006                 1.0889
 Frc consts  --      6.1874                 6.2028                 6.1650
 IR Inten    --     20.0936                27.1032                 9.1174
 RamAct Fr= 1--    140.4129                71.7425                53.7668
  Dep-P Fr= 1--      0.6965                 0.6441                 0.3422
  Dep-U Fr= 1--      0.8211                 0.7835                 0.5099
 Alpha2 Fr= 1--      0.1313                 0.1369                 0.4841
 Beta2  Fr= 1--     19.2152                 9.3688                 4.5691
 AlphaG Fr= 1--     -0.0777                 0.0939                 0.5328
 Gamma2 Fr= 1--    -23.0320                18.0944               -16.8729
 Delta2 Fr= 1--     -9.2113                 9.0729               -11.1521
 Raman1 Fr= 1--     561.652                286.970                215.067
 ROA1   Fr= 1--   -2505.835               2027.398              -1976.664
 CID1   Fr= 1--      -4.462                  7.065                 -9.191
 Raman2 Fr= 1--     230.583                112.425                 54.830
 ROA2   Fr= 1--    -479.078                361.683               -315.732
 CID2   Fr= 1--      -2.078                  3.217                 -5.758
 Raman3 Fr= 1--     461.166                224.851                109.659
 ROA3   Fr= 1--   -2505.835               2027.398              -1976.664
 CID3   Fr= 1--      -5.434                  9.017                -18.025
 RC180  Fr= 1--       0.642                  0.567                  0.020
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.01
     5   6     0.00   0.01   0.01     0.00   0.01   0.01    -0.02  -0.06  -0.05
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   1     0.03   0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.01  -0.01  -0.02    -0.01   0.00   0.01     0.01  -0.00  -0.01
     9   1    -0.02   0.01   0.00    -0.06   0.03   0.00    -0.00   0.00  -0.00
    10   1     0.02   0.02  -0.01     0.03   0.03  -0.02    -0.01  -0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.03  -0.02   0.03     0.01  -0.01   0.01     0.01  -0.01   0.02
    13   1     0.00   0.02  -0.00     0.00   0.03  -0.00    -0.01  -0.30   0.02
    14   1    -0.01   0.01   0.01    -0.02   0.01   0.02     0.12  -0.07  -0.13
    15   1    -0.02  -0.09  -0.07    -0.02  -0.10  -0.08     0.16   0.71   0.53
    16   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   6     0.03  -0.07  -0.01    -0.08  -0.04  -0.00    -0.01  -0.01  -0.00
    18   6    -0.01   0.01  -0.02     0.00  -0.01   0.02     0.00   0.00   0.00
    19   6    -0.02   0.01  -0.04    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    20   1    -0.46   0.29  -0.15     0.30  -0.22   0.10    -0.01   0.00  -0.00
    21   1     0.06   0.02  -0.02     0.65   0.41  -0.23     0.09   0.05  -0.03
    22   1     0.02   0.50   0.29    -0.01   0.30   0.18     0.00   0.12   0.07
    23   1    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00  -0.00  -0.00
    24   1     0.14  -0.10   0.11    -0.09   0.07  -0.07    -0.00   0.00  -0.00
    25   1    -0.06   0.02   0.20     0.05  -0.01  -0.18     0.00  -0.00  -0.00
    26   1     0.04   0.03  -0.02     0.01   0.01  -0.00    -0.11  -0.07   0.02
    27   1    -0.09   0.00   0.34    -0.00  -0.00   0.01    -0.02   0.00   0.09
    28   1     0.25  -0.16   0.16     0.01  -0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3112.1729              3113.4638              3118.5311
 Red. masses --      1.0997                 1.1009                 1.0989
 Frc consts  --      6.2755                 6.2879                 6.2965
 IR Inten    --      5.1083                16.7982                47.2973
 RamAct Fr= 1--     47.2917                62.3640                57.2503
  Dep-P Fr= 1--      0.7480                 0.3368                 0.5816
  Dep-U Fr= 1--      0.8558                 0.5039                 0.7354
 Alpha2 Fr= 1--      0.0016                 0.5711                 0.1807
 Beta2  Fr= 1--      6.7455                 5.2375                 7.0172
 AlphaG Fr= 1--      0.0063                 0.9147                -0.0039
 Gamma2 Fr= 1--      4.0413                 9.1700                 5.3416
 Delta2 Fr= 1--      3.1109                 3.2761                 2.5522
 Raman1 Fr= 1--     189.167                249.456                229.001
 ROA1   Fr= 1--     487.512                985.156                594.465
 CID1   Fr= 1--       2.577                  3.949                  2.596
 Raman2 Fr= 1--      80.946                 62.850                 84.206
 ROA2   Fr= 1--      72.104                193.871                107.781
 CID2   Fr= 1--       0.891                  3.085                  1.280
 Raman3 Fr= 1--     161.892                125.700                168.413
 ROA3   Fr= 1--     487.512                985.156                594.465
 CID3   Fr= 1--       3.011                  7.837                  3.530
 RC180  Fr= 1--       0.712                  0.008                  0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
     2   6     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.08   0.01   0.01
     3   6    -0.00   0.00  -0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.02  -0.07  -0.02    -0.01   0.02   0.01
     5   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.00   0.01   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.15   0.07   0.05
     8   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14  -0.05  -0.15
     9   1    -0.01   0.00   0.00     0.22  -0.11  -0.01     0.76  -0.38  -0.03
    10   1    -0.00  -0.00   0.00     0.04   0.04  -0.03     0.20   0.21  -0.13
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.00   0.00    -0.06   0.05  -0.07     0.01  -0.01   0.02
    13   1    -0.00  -0.03   0.00     0.03   0.72  -0.06    -0.01  -0.17   0.01
    14   1     0.01  -0.00  -0.01    -0.27   0.16   0.31     0.08  -0.05  -0.09
    15   1    -0.00  -0.01  -0.01     0.05   0.22   0.16    -0.01  -0.06  -0.04
    16   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    19   6    -0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.02  -0.02   0.01
    21   1     0.00   0.00  -0.00     0.01   0.01  -0.00     0.03   0.02  -0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00   0.01   0.00
    23   1     0.00   0.00   0.00    -0.00  -0.06  -0.02    -0.00  -0.16  -0.05
    24   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.03  -0.02   0.02
    25   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.05
    26   1     0.01   0.01  -0.00    -0.28  -0.17   0.04     0.06   0.04  -0.01
    27   1     0.00  -0.00  -0.00    -0.02   0.00   0.10     0.00  -0.00  -0.02
    28   1     0.00  -0.00   0.00    -0.05   0.04  -0.04     0.02  -0.01   0.01
    29   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.01  -0.09     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.02  -0.39   0.60    -0.00  -0.01   0.02     0.00  -0.00   0.00
    33   1     0.03   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.05   0.46   0.52     0.00   0.02   0.02     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3129.5554              3131.1019              3159.5195
 Red. masses --      1.0947                 1.0953                 1.1027
 Frc consts  --      6.3170                 6.3269                 6.4854
 IR Inten    --     26.4264                23.3661                 8.1023
 RamAct Fr= 1--     56.5511                53.2054                72.8596
  Dep-P Fr= 1--      0.3313                 0.5613                 0.5956
  Dep-U Fr= 1--      0.4978                 0.7190                 0.7466
 Alpha2 Fr= 1--      0.5269                 0.1905                 0.2089
 Beta2  Fr= 1--      4.6914                 6.3761                 9.0659
 AlphaG Fr= 1--      0.4165                 0.0368                -0.0458
 Gamma2 Fr= 1--     -1.0479                 2.4814                -1.2020
 Delta2 Fr= 1--      1.3701                -0.6536                -0.6294
 Raman1 Fr= 1--     226.204                212.822                291.438
 ROA1   Fr= 1--     -56.756                217.297               -135.533
 CID1   Fr= 1--      -0.251                  1.021                 -0.465
 Raman2 Fr= 1--      56.297                 76.513                108.790
 ROA2   Fr= 1--     -36.110                 64.781                -23.812
 CID2   Fr= 1--      -0.641                  0.847                 -0.219
 Raman3 Fr= 1--     112.594                153.027                217.581
 ROA3   Fr= 1--     -56.756                217.297               -135.533
 CID3   Fr= 1--      -0.504                  1.420                 -0.623
 RC180  Fr= 1--      -0.004                  0.438                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.02  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.00   0.00   0.00     0.10   0.04   0.03    -0.00  -0.00  -0.00
     8   1     0.00   0.00  -0.00     0.03  -0.01  -0.04    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.00     0.11  -0.06  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00     0.08   0.08  -0.05    -0.00  -0.00   0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.01   0.27  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.07   0.04   0.08    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.05   0.21   0.16    -0.00  -0.00  -0.00     0.00   0.01   0.00
    16   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01  -0.08  -0.03     0.00  -0.00  -0.00
    19   6    -0.07  -0.03   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.00   0.00   0.00
    23   1     0.00   0.04   0.01     0.02   0.89   0.25     0.00   0.00   0.00
    24   1    -0.01   0.00  -0.00    -0.14   0.09  -0.12    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.05  -0.00   0.22    -0.00   0.00   0.00
    26   1     0.74   0.44  -0.11    -0.04  -0.02   0.01     0.00   0.00  -0.00
    27   1     0.04  -0.00  -0.22    -0.00   0.00   0.01    -0.00  -0.00   0.00
    28   1     0.12  -0.10   0.10    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.06   0.01
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.15  -0.26
    33   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.78   0.46  -0.06
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.16   0.21

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  8 and mass  15.99491
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Molecular mass:   196.14633 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1396.385173819.652813882.59467
           X            0.99982  -0.01825  -0.00573
           Y            0.01847   0.99900   0.04084
           Z            0.00498  -0.04094   0.99915
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06203     0.02268     0.02231
 Rotational constants (GHZ):           1.29244     0.47249     0.46483
 Zero-point vibrational energy     793809.7 (Joules/Mol)
                                  189.72508 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     58.26    72.15   105.19   139.51   213.80
          (Kelvin)            281.91   315.99   321.43   338.48   343.69
                              349.87   387.40   478.08   503.26   524.92
                              581.48   622.29   684.77   741.47   758.85
                              839.84   854.83   893.19   925.82   954.29
                             1080.17  1151.59  1202.02  1222.65  1290.89
                             1327.73  1340.68  1370.33  1380.40  1386.64
                             1401.47  1436.72  1450.32  1473.14  1509.37
                             1522.05  1537.22  1541.24  1593.55  1638.71
                             1673.99  1687.81  1714.21  1763.08  1777.54
                             1805.62  1815.66  1828.34  1847.44  1882.05
                             1889.57  1923.20  1930.97  1961.31  2010.17
                             2023.53  2033.00  2042.42  2058.54  2117.27
                             2126.66  2136.50  2141.96  2153.14  2158.87
                             2162.60  2170.04  2177.49  2191.46  2199.08
                             2573.86  4359.09  4364.62  4374.06  4394.81
                             4396.83  4413.53  4416.23  4432.06  4433.90
                             4440.86  4443.27  4444.75  4449.91  4460.09
                             4477.72  4479.58  4486.87  4502.73  4504.96
                             4545.84
 
 Zero-point correction=                           0.302346 (Hartree/Particle)
 Thermal correction to Energy=                    0.316883
 Thermal correction to Enthalpy=                  0.317827
 Thermal correction to Gibbs Free Energy=         0.261350
 Sum of electronic and zero-point Energies=           -619.787303
 Sum of electronic and thermal Energies=              -619.772766
 Sum of electronic and thermal Enthalpies=            -619.771822
 Sum of electronic and thermal Free Energies=         -619.828299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  198.847             56.782            118.866
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.726
 Rotational               0.889              2.981             31.405
 Vibrational            197.069             50.820             45.735
 Vibration     1          0.594              1.981              5.235
 Vibration     2          0.595              1.978              4.812
 Vibration     3          0.599              1.967              4.068
 Vibration     4          0.603              1.951              3.514
 Vibration     5          0.618              1.904              2.690
 Vibration     6          0.636              1.846              2.171
 Vibration     7          0.647              1.811              1.962
 Vibration     8          0.649              1.805              1.931
 Vibration     9          0.655              1.787              1.838
 Vibration    10          0.657              1.781              1.811
 Vibration    11          0.659              1.774              1.780
 Vibration    12          0.674              1.730              1.601
 Vibration    13          0.714              1.611              1.249
 Vibration    14          0.727              1.576              1.167
 Vibration    15          0.738              1.545              1.101
 Vibration    16          0.769              1.461              0.948
 Vibration    17          0.793              1.399              0.850
 Vibration    18          0.833              1.303              0.721
 Vibration    19          0.870              1.216              0.621
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.941              1.067              0.479
 Vibration    22          0.952              1.044              0.460
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.612970-120       -120.212561       -276.799651
 Total V=0       0.719272D+19         18.856893         43.419601
 Vib (Bot)       0.348493-134       -134.457806       -309.600540
 Vib (Bot)    1  0.510908D+01          0.708343          1.631019
 Vib (Bot)    2  0.412232D+01          0.615142          1.416416
 Vib (Bot)    3  0.281962D+01          0.450191          1.036603
 Vib (Bot)    4  0.211768D+01          0.325861          0.750322
 Vib (Bot)    5  0.136507D+01          0.135156          0.311208
 Vib (Bot)    6  0.101921D+01          0.008263          0.019025
 Vib (Bot)    7  0.900794D+00         -0.045375         -0.104479
 Vib (Bot)    8  0.884127D+00         -0.053485         -0.123155
 Vib (Bot)    9  0.835262D+00         -0.078177         -0.180010
 Vib (Bot)   10  0.821260D+00         -0.085519         -0.196915
 Vib (Bot)   11  0.805185D+00         -0.094104         -0.216683
 Vib (Bot)   12  0.718022D+00         -0.143862         -0.331255
 Vib (Bot)   13  0.561525D+00         -0.250631         -0.577099
 Vib (Bot)   14  0.527548D+00         -0.277738         -0.639515
 Vib (Bot)   15  0.500758D+00         -0.300372         -0.691632
 Vib (Bot)   16  0.439674D+00         -0.356869         -0.821722
 Vib (Bot)   17  0.402063D+00         -0.395706         -0.911146
 Vib (Bot)   18  0.352624D+00         -0.452688         -1.042352
 Vib (Bot)   19  0.314547D+00         -0.502314         -1.156621
 Vib (Bot)   20  0.303949D+00         -0.517200         -1.190897
 Vib (Bot)   21  0.260084D+00         -0.584887         -1.346752
 Vib (Bot)   22  0.252838D+00         -0.597157         -1.375005
 Vib (V=0)       0.408929D+05          4.611648         10.618711
 Vib (V=0)    1  0.563349D+01          0.750777          1.728729
 Vib (V=0)    2  0.465253D+01          0.667689          1.537411
 Vib (V=0)    3  0.336361D+01          0.526806          1.213016
 Vib (V=0)    4  0.267591D+01          0.427471          0.984289
 Vib (V=0)    5  0.195376D+01          0.290872          0.669757
 Vib (V=0)    6  0.163525D+01          0.213583          0.491793
 Vib (V=0)    7  0.153026D+01          0.184764          0.425436
 Vib (V=0)    8  0.151572D+01          0.180618          0.415888
 Vib (V=0)    9  0.147348D+01          0.168344          0.387627
 Vib (V=0)   10  0.146149D+01          0.164797          0.379458
 Vib (V=0)   11  0.144780D+01          0.160708          0.370044
 Vib (V=0)   12  0.137496D+01          0.138290          0.318425
 Vib (V=0)   13  0.125187D+01          0.097560          0.224639
 Vib (V=0)   14  0.122685D+01          0.088791          0.204448
 Vib (V=0)   15  0.120764D+01          0.081939          0.188670
 Vib (V=0)   16  0.116582D+01          0.066631          0.153423
 Vib (V=0)   17  0.114160D+01          0.057515          0.132434
 Vib (V=0)   18  0.111184D+01          0.046041          0.106013
 Vib (V=0)   19  0.109071D+01          0.037710          0.086830
 Vib (V=0)   20  0.108514D+01          0.035484          0.081706
 Vib (V=0)   21  0.106360D+01          0.026778          0.061658
 Vib (V=0)   22  0.106029D+01          0.025426          0.058544
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.107975D+09          8.033324         18.497412
 Rotational      0.162900D+07          6.211921         14.303477
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003658   -0.000030212    0.000030968
      2        6           0.000045933    0.000052805   -0.000016391
      3        6           0.000039962   -0.000010728   -0.000036515
      4        6          -0.000024666    0.000004330    0.000019804
      5        6          -0.000002967    0.000008917   -0.000008026
      6        6          -0.000024684   -0.000003066    0.000018762
      7        1          -0.000009513   -0.000000794    0.000007121
      8        1          -0.000002990    0.000005735   -0.000000916
      9        1          -0.000003299   -0.000001636   -0.000000715
     10        1           0.000017438   -0.000005908    0.000009608
     11        6          -0.000003130    0.000007243   -0.000000823
     12        1           0.000001796    0.000000935    0.000000154
     13        1          -0.000010275   -0.000000686    0.000003118
     14        1           0.000008383    0.000012014   -0.000004338
     15        1           0.000010641   -0.000008644    0.000006920
     16        8           0.000003050    0.000005576    0.000000306
     17        6          -0.000000850   -0.000004895    0.000004071
     18        6          -0.000002085   -0.000000929   -0.000003366
     19        6          -0.000012641    0.000004187    0.000003525
     20        1          -0.000002560   -0.000003375   -0.000003891
     21        1          -0.000005237    0.000004698   -0.000005056
     22        1           0.000002549    0.000002740    0.000018171
     23        1          -0.000030007   -0.000006092   -0.000015144
     24        1          -0.000004024   -0.000000771    0.000001911
     25        1           0.000000631   -0.000003244    0.000012150
     26        1          -0.000009647   -0.000000111   -0.000014774
     27        1           0.000015622   -0.000017526   -0.000017407
     28        1           0.000000706   -0.000000670   -0.000000158
     29        6           0.000000814   -0.000000621    0.000002331
     30        6          -0.000000489   -0.000001502   -0.000001684
     31        8           0.000000398   -0.000001563   -0.000003978
     32        1          -0.000000299   -0.000000843   -0.000001680
     33        1          -0.000000161   -0.000002112   -0.000002781
     34        1          -0.000002058   -0.000003252   -0.000001275
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000052805 RMS     0.000012848
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164271D+03 -0.214268D+01 -0.754780D+00
      2  -0.214268D+01  0.138657D+03 -0.443423D+00
      3  -0.754780D+00 -0.443423D+00  0.132723D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.138100D+00  0.845252D+00  0.829139D+01
      2  -0.364602D+00 -0.459149D+01 -0.492446D+02
      3  -0.452324D+01  0.230171D+02  0.359581D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.949572D+01  0.371156D+01 -0.250536D+00
      2   0.976989D+01  0.445451D+01 -0.113614D+02
      3  -0.274166D+00 -0.816607D+01  0.116119D+02
      4  -0.113091D+02 -0.516236D+02 -0.134433D+02
      5   0.742588D+01 -0.123609D+02 -0.103328D+03
      6  -0.543699D+01  0.144283D+01 -0.327867D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.261105D+01  0.303907D+01  0.349441D+01  0.235052D+01  0.731163D+00
      2   0.303907D+01  0.839417D+00  0.223752D+00  0.731163D+00 -0.332820D+01
      3   0.349441D+01  0.223752D+00 -0.376447D+01  0.637350D+00 -0.532537D-01
                 6             7             8             9            10 
      1   0.637350D+00  0.203254D+01  0.398498D+00 -0.332000D+01 -0.167551D+01
      2  -0.532537D-01  0.398498D+00 -0.752541D-01  0.282163D+01  0.385470D+01
      3   0.254780D+01 -0.332000D+01  0.282163D+01  0.398676D+00 -0.130391D+01
                11            12            13            14            15 
      1   0.385470D+01 -0.130391D+01  0.344739D+01  0.350570D+00 -0.139322D+01
      2   0.322364D+00 -0.138250D+01  0.350570D+00  0.141431D+00 -0.308163D+01
      3  -0.138250D+01  0.202735D+01 -0.139322D+01 -0.308163D+01 -0.288471D+01
                16            17            18            19            20 
      1  -0.681847D+00 -0.165488D+01  0.142539D+01 -0.130596D+01 -0.356556D+01
      2  -0.165488D+01 -0.277891D+01 -0.158257D+01 -0.356556D+01  0.435266D+00
      3   0.142539D+01 -0.158257D+01  0.204745D+01  0.361833D+00 -0.126357D+01
                21            22            23            24            25 
      1   0.361833D+00 -0.389015D+01  0.428207D+00 -0.150292D+01 -0.565326D+00
      2  -0.126357D+01  0.428207D+00  0.370131D+01  0.215940D+01 -0.124814D+01
      3   0.473803D+01 -0.150292D+01  0.215940D+01 -0.243606D+01  0.579549D+01
                26            27            28            29            30 
      1  -0.124814D+01  0.579549D+01  0.105958D+01  0.188766D+01  0.147332D+01
      2   0.868469D+00 -0.342486D+01  0.188766D+01 -0.189540D+00  0.979826D-01
      3  -0.342486D+01 -0.128262D+01  0.147332D+01  0.979826D-01 -0.337933D+01
                31            32            33            34            35 
      1   0.266862D+01 -0.817905D+00 -0.214486D+00  0.129766D+00  0.403734D+00
      2  -0.817905D+00 -0.484467D+01  0.113339D+01  0.403734D+00  0.380203D+00
      3  -0.214486D+00  0.113339D+01  0.239696D+01 -0.367040D+01  0.182493D+01
                36            37            38            39            40 
      1  -0.367040D+01 -0.579288D+01  0.167005D+01 -0.133937D+01  0.294629D+01
      2   0.182493D+01  0.167005D+01  0.782570D+00 -0.109616D+01 -0.269747D+00
      3  -0.564856D+00 -0.133937D+01 -0.109616D+01  0.314112D+01 -0.108300D+01
                41            42            43            44            45 
      1  -0.269747D+00 -0.108300D+01  0.470719D+00 -0.795839D+00  0.138052D+01
      2  -0.899990D+00 -0.230782D+01 -0.795839D+00 -0.151941D+01 -0.173496D+01
      3  -0.230782D+01 -0.277172D+01  0.138052D+01 -0.173496D+01  0.169507D+01
                46            47            48            49            50 
      1   0.212608D+01 -0.463970D+01  0.312033D+01 -0.613414D+01  0.100711D+01
      2  -0.463970D+01  0.116257D+01  0.514993D+00  0.100711D+01  0.536604D+00
      3   0.312033D+01  0.514993D+00  0.523379D+00  0.485599D+00  0.377926D+01
                51            52            53            54            55 
      1   0.485599D+00  0.351246D+01 -0.807360D-01 -0.110206D-01 -0.571120D+01
      2   0.377926D+01 -0.807360D-01  0.437869D+01  0.184720D+01 -0.267676D+01
      3   0.153654D+01 -0.110206D-01  0.184720D+01 -0.389197D+01 -0.263939D+01
                56            57            58            59            60 
      1  -0.267676D+01 -0.263939D+01 -0.216509D+01 -0.190340D+01 -0.111016D+01
      2  -0.252571D+01 -0.155639D+01 -0.190340D+01 -0.199211D+01 -0.124149D+01
      3  -0.155639D+01 -0.236864D+01 -0.111016D+01 -0.124149D+01 -0.148879D+01
                61            62            63            64            65 
      1  -0.147407D+01 -0.930941D+00 -0.147985D+01  0.186743D+01 -0.119829D+01
      2  -0.930941D+00 -0.894815D+00 -0.130404D+01 -0.119829D+01  0.140068D+01
      3  -0.147985D+01 -0.130404D+01 -0.189655D+01 -0.238340D+01  0.134225D+01
                66            67            68            69            70 
      1  -0.238340D+01 -0.696760D+00  0.630908D+00  0.388045D+00 -0.179631D+01
      2   0.134225D+01  0.630908D+00 -0.103105D+01 -0.139315D+01  0.630391D+00
      3   0.381471D+01  0.388045D+00 -0.139315D+01 -0.162334D+01  0.215502D+01
                71            72            73            74            75 
      1   0.630391D+00  0.215502D+01  0.408122D+01 -0.340208D+01  0.242567D+00
      2  -0.170377D+01 -0.232608D+01 -0.340208D+01  0.328419D+01  0.238732D+00
      3  -0.232608D+01 -0.623281D+01  0.242567D+00  0.238732D+00  0.880870D+00
                76            77            78            79            80 
      1  -0.322575D+01  0.164889D+01  0.185278D+00 -0.946032D-01  0.152301D+00
      2   0.164889D+01 -0.334884D+01  0.214969D+00  0.152301D+00  0.186855D+00
      3   0.185278D+00  0.214969D+00 -0.364148D+00  0.592044D+00 -0.563104D+00
                81            82            83            84            85 
      1   0.592044D+00 -0.310947D+01 -0.184084D+01  0.874499D+00 -0.174948D+01
      2  -0.563104D+00 -0.184084D+01 -0.328824D+01  0.963227D+00 -0.227731D+01
      3  -0.169218D+00  0.874499D+00  0.963227D+00 -0.139011D+01  0.635768D+00
                86            87            88            89            90 
      1  -0.227731D+01  0.635768D+00  0.975448D+00  0.105739D+01 -0.100421D+01
      2  -0.496946D+01  0.161562D+01  0.105739D+01  0.231236D+01 -0.127378D+01
      3   0.161562D+01 -0.108767D+01 -0.100421D+01 -0.127378D+01  0.124039D+01
                91            92            93            94            95 
      1  -0.929211D+00  0.564222D+01 -0.218035D+01  0.676388D+01 -0.567443D+00
      2   0.564222D+01 -0.132815D+01  0.916168D+00 -0.567443D+00 -0.372211D+01
      3  -0.218035D+01  0.916168D+00 -0.450668D+01  0.108916D+01 -0.351897D+01
                96            97            98            99           100 
      1   0.108916D+01 -0.159940D+01  0.679671D+00 -0.408627D+01 -0.324942D+01
      2  -0.351897D+01  0.679671D+00 -0.299275D+01  0.101055D+01  0.180254D+01
      3   0.142375D+01 -0.408627D+01  0.101055D+01  0.472056D+01 -0.274585D+01
               101           102           103           104           105 
      1   0.180254D+01 -0.274585D+01  0.193390D+01 -0.140489D+01  0.131502D+01
      2  -0.140992D+01  0.131457D+01 -0.140489D+01  0.189039D+01 -0.226163D+01
      3   0.131457D+01 -0.338515D+01  0.131502D+01 -0.226163D+01  0.254580D+01
               106           107           108           109           110 
      1  -0.210891D+01  0.897511D+00 -0.298651D+01  0.303184D+00  0.892754D+00
      2   0.897511D+00 -0.176668D+01  0.220400D+01  0.892754D+00  0.387575D+00
      3  -0.298651D+01  0.220400D+01 -0.560394D+01 -0.277218D+00 -0.157513D+00
               111           112           113           114           115 
      1  -0.277218D+00  0.148969D+01  0.859021D+00 -0.247946D+00 -0.436041D-01
      2  -0.157513D+00  0.859021D+00  0.779589D+01 -0.203573D+01 -0.145963D+00
      3   0.311231D+00 -0.247946D+00 -0.203573D+01  0.172627D+01  0.409310D+00
               116           117           118           119           120 
      1  -0.145963D+00  0.409310D+00  0.341336D+01 -0.501453D+00 -0.228130D+01
      2  -0.100648D+01  0.110399D+01 -0.501453D+00  0.554983D+00  0.116587D+00
      3   0.110399D+01 -0.806428D+00 -0.228130D+01  0.116587D+00  0.286847D+01
               121           122           123           124           125 
      1  -0.171782D+01  0.558527D+00  0.847717D+00 -0.279413D+01  0.458672D-01
      2   0.558527D+00 -0.659410D-01 -0.939763D+00  0.458672D-01 -0.924034D+00
      3   0.847717D+00 -0.939763D+00 -0.171745D+01  0.260545D+01 -0.417425D+00
               126           127           128           129           130 
      1   0.260545D+01  0.144203D+01  0.936355D+00  0.997323D+00  0.260072D+01
      2  -0.417425D+00  0.936355D+00  0.154350D+00  0.324472D+00  0.214945D-01
      3  -0.461921D+01  0.997323D+00  0.324472D+00  0.295096D+00  0.402096D+00
               131           132           133           134           135 
      1   0.214945D-01  0.402096D+00  0.139045D+01  0.432966D+00  0.218358D+00
      2   0.308193D+01  0.170472D+01  0.432966D+00  0.179052D+01  0.162204D+01
      3   0.170472D+01  0.214725D+01  0.218358D+00  0.162204D+01  0.236006D+01
               136           137           138           139           140 
      1   0.138819D+01 -0.180358D+01  0.636546D+00 -0.497511D+01  0.696391D+00
      2  -0.180358D+01 -0.121460D+01 -0.164489D+00  0.696391D+00 -0.184689D+01
      3   0.636546D+00 -0.164489D+00 -0.175254D+01  0.307462D-02  0.617631D+00
               141           142           143           144           145 
      1   0.307462D-02  0.802325D+00 -0.155523D+00 -0.480523D+00 -0.104262D+00
      2   0.617631D+00 -0.155523D+00  0.221255D+00 -0.631995D+00  0.447654D+01
      3  -0.367314D+00 -0.480523D+00 -0.631995D+00  0.374144D+00 -0.331501D+01
               146           147           148           149           150 
      1   0.447654D+01 -0.331501D+01  0.456368D+01 -0.242679D+00 -0.231421D+00
      2  -0.224932D+00 -0.196647D+00 -0.242679D+00 -0.139453D+01 -0.406905D+01
      3  -0.196647D+00 -0.224854D+00 -0.231421D+00 -0.406905D+01 -0.171940D+01
               151           152           153           154           155 
      1  -0.283789D+01 -0.668737D-01  0.521010D-01 -0.252063D+00 -0.410875D+01
      2  -0.668737D-01 -0.319552D+01 -0.172940D+01 -0.410875D+01  0.520565D+00
      3   0.521010D-01 -0.172940D+01  0.302110D+01  0.220771D+01 -0.715008D+00
               156           157           158           159           160 
      1   0.220771D+01 -0.484944D+01  0.104656D+01 -0.908268D+00  0.259790D+01
      2  -0.715008D+00  0.104656D+01  0.421053D+01  0.228529D+01 -0.905810D+00
      3   0.274707D+01 -0.908268D+00  0.228529D+01 -0.795077D+00  0.391182D+01
               161           162           163           164           165 
      1  -0.905810D+00  0.391182D+01 -0.372550D+00 -0.495693D+01  0.163141D+01
      2   0.236068D+01 -0.624102D+00 -0.495693D+01  0.341809D+00 -0.101646D+01
      3  -0.624102D+00 -0.448582D+01  0.163141D+01 -0.101646D+01  0.234050D+01
               166           167           168           169           170 
      1  -0.445600D+01 -0.131612D+00 -0.110055D+01  0.189019D+01 -0.117262D+01
      2  -0.131612D+00  0.250955D+01  0.287011D+01 -0.117262D+01  0.306606D+01
      3  -0.110055D+01  0.287011D+01 -0.284048D+00  0.293689D+01 -0.128372D+01
               171           172           173           174           175 
      1   0.293689D+01  0.448049D+01 -0.232568D+01  0.241758D+01 -0.248079D+01
      2  -0.128372D+01 -0.232568D+01  0.202707D+01 -0.142261D+01  0.165576D+01
      3  -0.528497D+01  0.241758D+01 -0.142261D+01  0.302330D+01 -0.114073D+01
               176           177           178           179           180 
      1   0.165576D+01 -0.114073D+01  0.129339D+01 -0.668338D+00  0.153607D+01
      2  -0.223201D+01  0.196063D+01 -0.668338D+00  0.103907D+01 -0.953444D+00
      3   0.196063D+01 -0.181797D+01  0.153607D+01 -0.953444D+00  0.170506D+01
               181           182           183           184           185 
      1  -0.404066D+01 -0.220902D+01  0.229040D+01 -0.234758D+01 -0.153212D+01
      2  -0.220902D+01 -0.189379D+01  0.136417D+01 -0.153212D+01 -0.211506D+01
      3   0.229040D+01  0.136417D+01 -0.297934D+01  0.109446D+01  0.185592D+01
               186           187           188           189           190 
      1   0.109446D+01  0.152056D+01  0.722465D+00 -0.155299D+01  0.174180D+00
      2   0.185592D+01  0.722465D+00  0.106150D+01 -0.911634D+00  0.183941D+00
      3  -0.189008D+01 -0.155299D+01 -0.911634D+00  0.185619D+01  0.100342D+01
               191           192           193           194           195 
      1   0.183941D+00  0.100342D+01  0.703986D+00  0.511655D-01  0.180377D+00
      2   0.621295D-01  0.123711D+00  0.511655D-01  0.392682D+01  0.270261D+01
      3   0.123711D+00  0.281211D+00  0.180377D+00  0.270261D+01  0.434517D+01
               196           197           198           199           200 
      1   0.810691D+00  0.823424D-01  0.812311D-01 -0.214853D-02 -0.909184D+00
      2   0.823424D-01  0.191582D+01  0.214161D+01 -0.909184D+00 -0.995353D+00
      3   0.812311D-01  0.214161D+01  0.386867D+01 -0.841150D+00 -0.577621D-02
               201           202           203           204           205 
      1  -0.841150D+00 -0.242968D+01 -0.170127D+01  0.132267D+00 -0.151534D+01
      2  -0.577621D-02 -0.170127D+01 -0.590212D+01 -0.107003D+01 -0.419886D-01
      3  -0.680939D-01  0.132267D+00 -0.107003D+01 -0.113872D+01 -0.135134D+00
               206           207           208           209           210 
      1  -0.419886D-01 -0.135134D+00 -0.704348D+01  0.188654D+01 -0.200487D+01
      2  -0.117093D+01 -0.880567D+00  0.188654D+01 -0.121767D+01  0.520641D+00
      3  -0.880567D+00 -0.522178D+00 -0.200487D+01  0.520641D+00 -0.155315D+01
               211           212           213           214           215 
      1   0.398045D+01 -0.177593D+01  0.907330D+00 -0.404665D+01  0.951139D+00
      2  -0.177593D+01  0.120390D+01 -0.864084D+00  0.951139D+00 -0.115212D+01
      3   0.907330D+00 -0.864084D+00  0.101605D+01 -0.234050D+01  0.703963D+00
               216           217           218           219           220 
      1  -0.234050D+01 -0.234023D+01  0.276504D+00  0.156024D+01  0.835715D+00
      2   0.703963D+00  0.276504D+00 -0.373880D+00  0.132779D+00 -0.668363D+00
      3  -0.128440D+01  0.156024D+01  0.132779D+00 -0.185830D+01 -0.666756D-01
               221           222           223           224           225 
      1  -0.668363D+00 -0.666756D-01  0.362002D+01  0.261838D+00 -0.353316D+01
      2  -0.267252D+00  0.597947D+00  0.261838D+00  0.871354D+00 -0.286169D-01
      3   0.597947D+00  0.335455D+00 -0.353316D+01 -0.286169D-01  0.645735D+01
               226           227           228           229           230 
      1   0.500778D+01  0.152503D+01 -0.513309D+00  0.131971D+01  0.194265D+01
      2   0.152503D+01  0.317971D+01  0.405382D+00  0.194265D+01  0.326124D+01
      3  -0.513309D+00  0.405382D+00  0.690269D+00  0.873241D-01 -0.158280D+00
               231           232           233           234           235 
      1   0.873241D-01 -0.495287D+00  0.170096D+00  0.308516D+00 -0.119717D+01
      2  -0.158280D+00  0.170096D+00 -0.705098D+00  0.572821D+00  0.101886D+01
      3   0.608073D+00  0.308516D+00  0.572821D+00  0.357488D+00  0.107294D+01
               236           237           238           239           240 
      1   0.101886D+01  0.107294D+01  0.434265D+00 -0.339226D+00  0.244461D-01
      2  -0.676755D+00 -0.332805D+00 -0.339226D+00  0.392656D+00  0.692990D+00
      3  -0.332805D+00 -0.156740D+01  0.244461D-01  0.692990D+00  0.547275D+00
               241           242           243           244           245 
      1   0.163037D+01 -0.787922D+00 -0.219849D+01 -0.480572D+01  0.362394D+01
      2  -0.787922D+00  0.210989D+01  0.221992D+01  0.362394D+01 -0.361095D+01
      3  -0.219849D+01  0.221992D+01  0.727851D+01 -0.115566D+01  0.754995D+00
               246           247           248           249           250 
      1  -0.115566D+01  0.262495D+01 -0.251361D+01  0.679008D+00 -0.227515D+01
      2   0.754995D+00 -0.251361D+01  0.367272D+01 -0.112367D+01  0.166985D+01
      3  -0.133398D+01  0.679008D+00 -0.112367D+01  0.711545D+00 -0.145451D+01
               251           252           253           254           255 
      1   0.166985D+01 -0.145451D+01  0.363182D+01  0.206952D+01 -0.424638D+00
      2  -0.259048D+01  0.126527D+01  0.206952D+01  0.803626D+00 -0.109185D+00
      3   0.126527D+01 -0.793726D+00 -0.424638D+00 -0.109185D+00  0.752031D+00
               256           257           258           259           260 
      1  -0.824962D+00 -0.231730D+01 -0.967332D-01 -0.183270D+00  0.235548D+00
      2  -0.231730D+01 -0.488082D+01  0.299412D+00  0.235548D+00  0.418565D+00
      3  -0.967332D-01  0.299412D+00 -0.444754D+00  0.918080D+00 -0.850918D+00
               261           262           263           264           265 
      1   0.918080D+00 -0.173542D+01 -0.444865D+01  0.382009D+00 -0.600817D+01
      2  -0.850918D+00 -0.444865D+01  0.239663D+00  0.191172D+00 -0.103296D+01
      3   0.417840D+00  0.382009D+00  0.191172D+00  0.378930D+00  0.182005D+00
               266           267           268           269           270 
      1  -0.103296D+01  0.182005D+00  0.651838D+00  0.204825D+00 -0.992370D+00
      2   0.284935D+01  0.412356D+00  0.204825D+00  0.595354D+00  0.455393D+01
      3   0.412356D+00  0.389645D+01 -0.992370D+00  0.455393D+01 -0.104234D+01
               271           272           273           274           275 
      1   0.143910D+01  0.225626D+01 -0.242074D+00  0.810632D+01  0.347329D+01
      2   0.225626D+01  0.122169D+01  0.166361D-01  0.347329D+01  0.102209D+02
      3  -0.242074D+00  0.166361D-01  0.673873D-01  0.815700D-01 -0.483204D+00
               276           277           278           279           280 
      1   0.815700D-01 -0.558772D+00 -0.153836D+00  0.110291D+01  0.883557D+00
      2  -0.483204D+00 -0.153836D+00 -0.619235D+00  0.243047D+01 -0.846714D-01
      3   0.186372D+01  0.110291D+01  0.243047D+01 -0.626248D+00  0.777474D+00
               281           282           283           284           285 
      1  -0.846714D-01  0.777474D+00 -0.149211D+01  0.137343D+01 -0.590285D+00
      2  -0.327470D-01 -0.962908D-01  0.137343D+01 -0.343776D+01  0.183565D+01
      3  -0.962908D-01  0.145517D+00 -0.590285D+00  0.183565D+01 -0.259686D+01
               286           287           288           289           290 
      1   0.263694D+01 -0.113235D+01  0.153418D+01  0.906139D+01  0.177788D+01
      2  -0.113235D+01  0.263650D+01 -0.287280D+01  0.177788D+01  0.142022D+01
      3   0.153418D+01 -0.287280D+01  0.485732D+01 -0.217249D+00 -0.579701D-01
               291           292           293           294           295 
      1  -0.217249D+00  0.443365D+01  0.152347D+01 -0.743836D-01 -0.534962D+00
      2  -0.579701D-01  0.152347D+01  0.132809D+01 -0.116301D+00 -0.525140D-01
      3   0.111878D+01 -0.743836D-01 -0.116301D+00  0.356836D+00  0.114729D+01
               296           297           298           299           300 
      1  -0.525140D-01  0.114729D+01  0.696899D+00 -0.149236D+00 -0.679291D+00
      2  -0.177268D+00 -0.127049D+00 -0.149236D+00 -0.158190D+00  0.111831D-01
      3  -0.127049D+00 -0.629747D-01 -0.679291D+00  0.111831D-01 -0.132388D-01
               301           302           303           304           305 
      1  -0.176072D+01  0.149717D+01  0.402898D+00 -0.236009D+01  0.997842D+00
      2   0.149717D+01 -0.444447D+01 -0.201985D+01  0.997842D+00 -0.294039D+01
      3   0.402898D+00 -0.201985D+01 -0.257682D+01  0.113529D+01 -0.280126D+01
               306 
      1   0.113529D+01
      2  -0.280126D+01
      3  -0.348563D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.261401D+01 -0.133129D+01 -0.682610D+01 -0.147377D+01  0.100384D+02
      2   0.150831D+01  0.776529D+01  0.171157D+02  0.602758D+01  0.172925D+01
      3   0.232665D+00 -0.628625D+01 -0.592519D+01 -0.185257D+01 -0.790811D+01
                 6             7             8             9            10 
      1   0.326151D+01 -0.634337D+01  0.806968D+01 -0.821944D+01 -0.965590D+00
      2  -0.193593D+01  0.885591D+01 -0.363334D+01 -0.973391D+01  0.182343D+01
      3  -0.511462D-01 -0.343415D+01 -0.523617D+00  0.988776D+01  0.488293D+01
                11            12            13            14            15 
      1  -0.448781D+01  0.541764D+01 -0.476727D+01 -0.771945D+01 -0.994409D+01
      2  -0.614526D+00  0.253850D+01 -0.314256D+00  0.195404D+01  0.228836D+01
      3  -0.118813D+02  0.126597D+01 -0.761969D+01 -0.109715D+01  0.272511D+01
                16            17            18            19            20 
      1   0.387147D+01 -0.263453D+01  0.690648D+01  0.655715D+01  0.334408D+00
      2  -0.193078D+01  0.132382D+01 -0.598212D+00 -0.649960D+01 -0.347241D+01
      3  -0.140471D+00  0.222985D+01 -0.536608D+01 -0.777867D+01 -0.423817D+01
                21            22            23            24            25 
      1   0.608992D+00  0.167883D+01 -0.964489D+01 -0.511871D+01  0.137274D+00
      2  -0.428389D+01 -0.406687D+01 -0.283047D+01  0.149379D+01 -0.131749D+02
      3  -0.280867D+01  0.227608D+01  0.631877D+01  0.164476D+01 -0.225284D+01
                26            27            28            29            30 
      1   0.129469D+01  0.671708D+01 -0.777398D+01 -0.100048D+00  0.415022D+01
      2   0.308663D+01  0.121888D+02  0.458905D+01  0.380932D+01  0.468100D+01
      3   0.100389D+01 -0.299622D+01  0.275709D+01  0.186811D+01  0.412883D+01
                31            32            33            34            35 
      1  -0.614578D+00  0.955221D+01 -0.780259D+01  0.545298D+01 -0.105981D+01
      2   0.694444D+01 -0.119877D+01 -0.485780D+00 -0.895406D+00 -0.111073D+00
      3   0.802028D+01  0.295752D+01 -0.139982D+01  0.396783D+01 -0.524754D+00
                36            37            38            39            40 
      1  -0.139893D+01  0.965622D+00  0.897671D+00 -0.192192D+01 -0.885945D+00
      2  -0.682656D+01  0.468131D+01 -0.250227D+01  0.119239D+01 -0.418302D+01
      3  -0.382804D+01 -0.347527D+01  0.417016D+01  0.810635D+00  0.697541D+01
                41            42            43            44            45 
      1   0.126534D+01 -0.194853D+01 -0.455681D+01  0.136280D+01 -0.417729D+01
      2  -0.139921D+01 -0.174501D+01 -0.445028D+01 -0.213794D+01  0.176855D+01
      3   0.669840D+00  0.131785D+01 -0.769340D+00 -0.533996D-01  0.123365D+01
                46            47            48            49            50 
      1  -0.267666D+01  0.470000D+00 -0.327141D+00  0.180934D+01  0.385307D+01
      2  -0.205182D+01  0.403009D+01  0.282933D+00  0.397944D+01 -0.331600D+01
      3  -0.277322D+01  0.679669D+00 -0.174432D+01  0.773894D+01 -0.151636D+01
                51            52            53            54            55 
      1   0.180950D+01  0.297527D+00  0.954856D+01  0.734403D+00  0.249535D+01
      2  -0.312393D+00 -0.893102D+01 -0.422732D+00  0.194955D+01 -0.103813D+02
      3   0.179423D+01 -0.192625D+01  0.378459D+01  0.135012D+01  0.699778D+01
                56            57            58            59            60 
      1   0.454462D+01 -0.168091D+01  0.269431D+01  0.226735D+01 -0.132577D+01
      2  -0.309218D+01  0.342630D+00 -0.368588D+01 -0.249894D+01  0.469030D+00
      3  -0.190277D+01  0.138634D+01  0.235929D+01 -0.863089D+00 -0.639734D-01
                61            62            63            64            65 
      1  -0.596960D+00  0.117619D+01  0.335958D+00 -0.782440D+00 -0.276276D+01
      2  -0.180365D+01 -0.572149D-01  0.374346D+00  0.892324D+01 -0.421018D+01
      3   0.940102D+00 -0.602027D+00  0.259440D+00 -0.575941D+01  0.198498D+01
                66            67            68            69            70 
      1   0.407681D+01 -0.609538D+00 -0.102430D+00 -0.121259D+01  0.232272D+01
      2  -0.880577D+01 -0.253126D+01  0.346759D+01  0.280860D+01 -0.934417D+01
      3   0.543069D+01  0.321665D+01 -0.187596D+01 -0.297965D+01  0.451216D+01
                71            72            73            74            75 
      1   0.293212D+01 -0.480524D+01  0.988436D+00  0.266163D+00  0.373846D+01
      2   0.429037D+01  0.123084D+02  0.537067D+00 -0.191780D+00  0.109069D+01
      3  -0.244439D+01 -0.692099D+01 -0.145280D+02  0.860206D+01 -0.710964D+00
                76            77            78            79            80 
      1  -0.349984D+00  0.106196D+01 -0.212714D+01  0.122029D+01  0.318918D+00
      2  -0.337610D+00  0.179013D+00 -0.104284D+01 -0.175113D+01  0.321648D+00
      3   0.114870D+02 -0.492213D+01 -0.185125D+00  0.665085D+00 -0.455807D+00
                81            82            83            84            85 
      1  -0.471476D+00  0.201187D+01  0.203711D+01 -0.498203D+01  0.184958D+01
      2  -0.162435D+00 -0.180756D+00 -0.575575D+00  0.216399D+01  0.160383D+00
      3  -0.161729D+01  0.930982D+01 -0.694607D+00 -0.167418D+01  0.360826D+01
                86            87            88            89            90 
      1   0.367780D+01 -0.464342D+01 -0.225543D+01 -0.100323D+01  0.427780D+01
      2  -0.791516D+00  0.187360D+01 -0.634969D+00  0.108544D+01 -0.124561D+01
      3   0.519695D+00 -0.673742D+00 -0.251897D+01 -0.960725D-01  0.125256D+01
                91            92            93            94            95 
      1   0.211892D+01 -0.295276D+00  0.152645D+01  0.268289D+00  0.954420D+00
      2   0.317421D+01 -0.232041D+01  0.129096D+02 -0.329266D+01  0.709189D+01
      3   0.143970D+02 -0.309711D+01  0.785031D+00  0.800857D+01 -0.100474D+02
                96            97            98            99           100 
      1  -0.486811D+01  0.152188D+01  0.223629D+01 -0.425113D+01 -0.211401D+01
      2  -0.184744D+01  0.487980D+01 -0.153979D+01 -0.121580D+02 -0.258887D+01
      3  -0.717053D+01  0.101183D+01 -0.627535D+01 -0.292083D+00  0.618240D+00
               101           102           103           104           105 
      1   0.328430D+01  0.132940D+00  0.171541D+01 -0.318445D+01  0.991303D+00
      2   0.115191D+01  0.280401D+01  0.250249D+01  0.111582D+01 -0.246272D+01
      3  -0.311313D+01  0.800677D+00  0.356238D+00  0.282399D+01 -0.296085D+01
               106           107           108           109           110 
      1  -0.497918D+00  0.505974D+01 -0.873479D+00 -0.160103D+01 -0.577670D+00
      2  -0.212360D+01 -0.138163D+01  0.404141D+01 -0.234540D+00  0.134544D+01
      3  -0.582716D+00 -0.323880D+01  0.202258D+01  0.524681D+00  0.360132D+00
               111           112           113           114           115 
      1  -0.318622D+00 -0.104635D+01 -0.124853D+02 -0.159340D+01  0.413638D-01
      2   0.819265D-01  0.302866D+01  0.252158D+01  0.402140D+00 -0.158285D+01
      3  -0.224317D+00  0.566080D+01 -0.157661D+01 -0.229401D+00 -0.440714D+00
               116           117           118           119           120 
      1   0.817902D+00 -0.989511D+00  0.389627D+01 -0.225014D+01 -0.335371D+01
      2  -0.948478D-01  0.114172D+01  0.743726D+01 -0.894133D+00 -0.993912D+00
      3  -0.411496D+00  0.361318D+00  0.414713D+01 -0.241079D+01 -0.333782D+01
               121           122           123           124           125 
      1  -0.174415D+01  0.194056D+01  0.279726D+01 -0.263586D+01  0.437635D+01
      2  -0.436732D+01  0.956827D+00  0.160609D+00 -0.620084D+01 -0.289006D+00
      3  -0.835879D+00  0.164390D+01  0.131276D+01 -0.333318D+01  0.163320D+01
               126           127           128           129           130 
      1   0.573377D+01  0.717736D+00 -0.183406D-01 -0.784810D+00  0.175558D+00
      2   0.284926D+01  0.338159D+00  0.816053D-01  0.508267D+00 -0.172097D+01
      3   0.366206D+01 -0.284786D+00  0.106187D+01  0.457619D+00  0.700702D+01
               131           132           133           134           135 
      1   0.625080D+00 -0.240868D+01  0.663557D+00  0.113466D+01 -0.190151D+01
      2   0.192283D+01  0.201581D+01 -0.332266D+01  0.967355D+00  0.249714D+01
      3  -0.239364D+01 -0.115425D+01  0.192369D+01 -0.106180D+01 -0.209825D+00
               136           137           138           139           140 
      1  -0.236108D+00  0.184201D+00 -0.364320D+00  0.296264D+00 -0.152752D+01
      2  -0.641473D+00 -0.855540D+00  0.745800D+01  0.195143D+01  0.608358D+00
      3   0.107682D+02 -0.961002D+01  0.153915D+01  0.967251D+01  0.426707D+01
               141           142           143           144           145 
      1  -0.336691D+01  0.583028D+00  0.125134D+01  0.349206D+00  0.964503D+01
      2  -0.139952D+01 -0.781794D+01 -0.248332D+01  0.616659D+00  0.181082D+01
      3  -0.804618D+00 -0.481224D+00  0.113561D+00  0.192633D+01  0.285880D+01
               146           147           148           149           150 
      1  -0.177076D+00 -0.697682D-01 -0.613658D+00 -0.776756D+01 -0.177073D+02
      2  -0.127293D+02  0.146447D+02 -0.119824D+02  0.258251D+01  0.805344D+00
      3  -0.609696D+01  0.358233D+01 -0.235901D+01 -0.357097D+00 -0.183246D+01
               151           152           153           154           155 
      1  -0.654407D+00 -0.954739D+01 -0.311043D+01 -0.987374D+00  0.603786D-01
      2   0.599263D+01  0.155400D+01 -0.216181D+01 -0.889056D+01  0.402272D+01
      3   0.215036D+01 -0.194767D+01 -0.111540D+01 -0.163535D+02  0.206776D+01
               156           157           158           159           160 
      1   0.343247D+00  0.644666D+00  0.286732D+01 -0.789722D+00  0.112437D+01
      2  -0.995314D+01  0.519416D+01 -0.977973D+01  0.272941D+01 -0.203488D+02
      3  -0.310038D+01  0.918970D+01  0.191377D+02  0.919927D+01 -0.436979D+01
               161           162           163           164           165 
      1   0.300087D+01 -0.827694D+00 -0.836718D+01  0.255162D+01 -0.613478D+01
      2   0.188725D+01  0.171456D+02 -0.313985D+01  0.714506D+01 -0.443978D+01
      3   0.951406D+01 -0.218202D+01 -0.135577D+02 -0.156481D+02  0.967549D+00
               166           167           168           169           170 
      1   0.224366D+01 -0.643999D+01  0.137587D+01 -0.848183D+01  0.942381D+01
      2   0.626021D+01 -0.602041D+01  0.143077D+01 -0.102265D+02  0.415477D+01
      3  -0.102781D+02  0.384253D+01  0.407579D+01  0.159343D+01  0.406529D+01
               171           172           173           174           175 
      1   0.137882D+02 -0.474843D+01  0.543314D+01 -0.962051D-01  0.366398D+01
      2   0.109308D+02 -0.153985D+02  0.709019D+01 -0.585216D+01  0.833493D+01
      3   0.309998D+01 -0.695607D+01  0.150799D+01 -0.279835D+01  0.482091D+01
               176           177           178           179           180 
      1  -0.460550D+01  0.172197D+01 -0.820619D+00  0.330921D+01 -0.880741D+00
      2  -0.560052D+01  0.325123D+01 -0.592512D+01  0.285914D+01 -0.446926D+01
      3  -0.188505D+01  0.206151D+01 -0.176088D+01  0.589555D+00 -0.200600D+01
               181           182           183           184           185 
      1  -0.423640D+01 -0.530520D+01 -0.123515D+00 -0.332104D+01 -0.415242D+01
      2   0.114394D+02  0.481441D+01 -0.129916D+01  0.644453D+01  0.265451D+01
      3   0.330730D+01 -0.127360D+01 -0.611792D+00  0.234521D+01 -0.106046D+01
               186           187           188           189           190 
      1   0.150078D+01  0.876051D+00  0.345715D+01 -0.104731D+01  0.117134D+01
      2  -0.619287D+00 -0.421742D+01 -0.150566D+01  0.207701D+01 -0.866616D+00
      3   0.465960D+00 -0.865624D+00  0.736444D+00  0.657973D+00  0.221880D+00
               191           192           193           194           195 
      1  -0.232326D+00  0.376788D+00 -0.125325D+00  0.159143D+02  0.841329D+01
      2  -0.625143D+00 -0.180641D+01 -0.374767D+01 -0.137790D+01 -0.271455D+01
      3  -0.577395D+00 -0.531647D+00  0.169688D+01  0.194972D+01  0.152181D+01
               196           197           198           199           200 
      1   0.304892D+00  0.909733D+01  0.804184D+01 -0.122697D+01 -0.477959D-01
      2  -0.380879D+01 -0.152601D+01 -0.279925D+01  0.376577D+01  0.170453D+00
      3   0.275382D+00  0.122439D+01  0.118446D+01 -0.447552D+01 -0.326712D+01
               201           202           203           204           205 
      1   0.161794D+00  0.730803D-01 -0.281140D+01 -0.378882D+01  0.878669D+00
      2   0.225998D-01 -0.613729D+00  0.506891D+01  0.578183D+01 -0.170215D+01
      3   0.110879D+01 -0.772805D+00 -0.252446D+02 -0.548103D+01  0.215600D+01
               206           207           208           209           210 
      1  -0.520530D+00 -0.157868D+01  0.899881D-01  0.530830D+00  0.339548D+00
      2   0.401054D+01  0.350080D+01  0.896398D+01 -0.280305D+01  0.904301D+01
      3  -0.576933D+01 -0.447455D+01  0.801313D+01 -0.773321D+01  0.284736D+01
               211           212           213           214           215 
      1  -0.273859D+00 -0.480695D+00 -0.103678D+01 -0.114379D+00  0.110626D+01
      2  -0.401744D+01  0.380869D+01 -0.532061D+01  0.795331D+01 -0.291134D+01
      3  -0.508581D+01  0.553348D+01 -0.341263D+01  0.376313D+01 -0.600477D+01
               216           217           218           219           220 
      1   0.396660D+00  0.531243D+00 -0.806873D+00 -0.717980D+00 -0.158938D+00
      2   0.640279D+01 -0.449169D+01 -0.582060D+00  0.776523D+01 -0.331528D+00
      3   0.298820D+01  0.152244D+01 -0.248253D+01 -0.396907D-01 -0.133342D+01
               221           222           223           224           225 
      1   0.783461D-01 -0.549594D+00 -0.533524D+00  0.308832D+01  0.179604D+01
      2  -0.180095D+01 -0.114236D+01  0.857706D+01 -0.315846D-01 -0.255282D+02
      3  -0.104349D+01  0.178563D+01  0.561355D+00  0.473943D+01  0.201138D+00
               226           227           228           229           230 
      1   0.329630D+01  0.126963D+01 -0.336787D+01  0.176266D+01  0.267608D+01
      2  -0.386749D+01 -0.186969D+01  0.542855D+00 -0.128167D+01 -0.126213D+01
      3   0.216680D+02  0.846822D+01 -0.146459D+01  0.942196D+01  0.107693D+02
               231           232           233           234           235 
      1  -0.304021D+01 -0.150151D+01 -0.618521D+00  0.173252D-01 -0.150441D+01
      2  -0.204931D+00 -0.119255D+01 -0.994357D+00 -0.780033D+00 -0.104015D+01
      3  -0.416827D+00 -0.167187D+01 -0.930900D+00  0.221592D+01  0.239910D-01
               236           237           238           239           240 
      1  -0.293493D+00  0.366921D+01  0.518316D-01 -0.143522D+01 -0.178591D+01
      2   0.804469D-01  0.363310D+01 -0.603665D+00 -0.137119D+01 -0.943954D+00
      3  -0.395102D+00  0.127951D+01  0.120254D+01  0.907937D-03  0.116880D+01
               241           242           243           244           245 
      1   0.441211D+01  0.155419D+00 -0.172731D+02  0.537906D+01 -0.365230D+01
      2   0.642919D+00 -0.416342D+01 -0.154503D+02  0.490829D+01 -0.382168D+01
      3   0.275676D+01  0.402429D+01  0.373378D+00 -0.371904D+01 -0.250748D+01
               246           247           248           249           250 
      1   0.530343D+01 -0.347465D+01  0.468076D+01 -0.425086D+01  0.419102D+01
      2   0.566763D+01 -0.303443D+01  0.408120D+01 -0.303933D+01  0.336789D+01
      3  -0.126785D+01  0.274996D+01  0.315698D+01 -0.623691D+00 -0.238181D+01
               251           252           253           254           255 
      1  -0.301294D+01  0.330961D+01 -0.193723D+00 -0.185012D+00 -0.127656D+01
      2  -0.357307D+01  0.331296D+01 -0.292491D+01 -0.105493D+01 -0.109089D+02
      3  -0.319910D+01 -0.321304D+00 -0.114130D+02  0.162370D+01  0.703180D+00
               256           257           258           259           260 
      1   0.390555D+00  0.149352D+01  0.704144D+01  0.452029D+00  0.967317D+01
      2  -0.199829D+01  0.196814D+01 -0.720448D+01 -0.193653D+02 -0.134123D+01
      3   0.284805D+01  0.213787D+02 -0.161035D+01  0.197622D+01 -0.226858D+01
               261           262           263           264           265 
      1  -0.175279D+01 -0.170571D+00  0.407936D+00  0.161883D+01  0.699588D-01
      2   0.177069D+01  0.174315D+01  0.157396D+01  0.575530D+01  0.194855D+01
      3   0.290299D+01  0.213384D+02 -0.116371D+01 -0.119901D+01  0.133866D+02
               266           267           268           269           270 
      1   0.852144D+00  0.208797D+01 -0.316107D+01  0.740838D+01 -0.606950D+00
      2   0.190456D+01  0.170065D+02 -0.795519D+01  0.220176D+02 -0.483342D+01
      3  -0.118982D+02 -0.197144D+01 -0.128569D+01 -0.293388D+01 -0.202680D+02
               271           272           273           274           275 
      1   0.536788D+00  0.377253D+00  0.845573D+00  0.216933D+00 -0.246542D-01
      2  -0.966053D+00 -0.378128D-01  0.635414D+01  0.504774D+00 -0.241945D+01
      3  -0.801367D+01 -0.687388D+01 -0.380558D+00  0.236534D+01 -0.369613D+02
               276           277           278           279           280 
      1  -0.957665D+01 -0.110216D+00  0.273532D+00  0.107769D+01  0.446614D+00
      2   0.107983D+02  0.478465D+01  0.771938D+01 -0.302145D+01  0.315726D+01
      3   0.195522D+01 -0.926225D+00  0.253770D+01 -0.778950D+01  0.601284D-01
               281           282           283           284           285 
      1  -0.133987D+00 -0.597517D-01 -0.637355D+00  0.881106D+00 -0.352769D+01
      2  -0.326279D+00  0.743887D+00 -0.198575D+01  0.825238D+01 -0.115099D+02
      3  -0.572809D+00 -0.370681D+00 -0.318091D+01  0.138180D+02 -0.759428D+01
               286           287           288           289           290 
      1   0.112109D+01 -0.740684D+00  0.479834D+01 -0.989560D-01  0.110773D-01
      2   0.439625D+01 -0.127300D+02  0.213735D+02 -0.194193D+01 -0.531694D+00
      3   0.176150D+01 -0.109234D+02  0.119131D+02 -0.140357D+02 -0.100749D+02
               291           292           293           294           295 
      1   0.321360D+00  0.609776D-01 -0.380975D-01 -0.807095D+00  0.709507D+00
      2   0.706448D+01 -0.754472D+00 -0.688961D+00  0.215949D+01  0.367725D+01
      3   0.504654D+00 -0.775026D+01 -0.752865D+01  0.582041D+00  0.536853D+00
               296           297           298           299           300 
      1   0.449064D+00 -0.149055D-01 -0.549887D+00 -0.294117D-02 -0.225313D+00
      2  -0.658703D+00 -0.463029D+00 -0.307172D+01 -0.191750D+00  0.311741D+00
      3   0.940884D+00  0.832755D-01  0.546192D+00  0.161763D+00  0.811769D+00
               301           302           303           304           305 
      1   0.807686D+00 -0.203868D+01 -0.415551D+01  0.100991D+01 -0.153961D+01
      2   0.156933D+01 -0.951193D+01 -0.115438D+02  0.343118D+01 -0.126210D+02
      3  -0.319862D+01  0.183205D+02  0.863147D+01 -0.140993D+01  0.125280D+02
               306 
      1  -0.431983D+01
      2  -0.156450D+02
      3   0.118110D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.473906D+00 -0.111379D+02 -0.204956D+02 -0.799776D+01 -0.106592D+02
      2   0.693545D+01  0.399421D+01 -0.410145D+01  0.391388D+01  0.111891D+02
      3  -0.646155D+01  0.714369D+01  0.245970D+02  0.408389D+01 -0.529896D+00
      4  -0.159511D+02 -0.997951D+01 -0.131022D+02 -0.896126D+01  0.596665D+01
      5  -0.173362D+02 -0.149261D+02 -0.904210D+01 -0.115097D+02 -0.110758D+01
      6  -0.218791D+02 -0.682621D+01  0.564712D+01 -0.506921D+01  0.859532D+01
                 6             7             8             9            10 
      1   0.179836D+01 -0.149365D+02  0.297567D+01  0.155360D+02  0.726541D+01
      2   0.807323D+01 -0.319655D+01  0.690800D+01 -0.739529D+01 -0.190005D+02
      3  -0.987159D+01  0.181331D+02 -0.988368D+01 -0.814070D+01  0.117350D+02
      4  -0.796240D+00 -0.721827D+01  0.228303D+00  0.823189D-01  0.109956D+01
      5  -0.635996D+01 -0.167467D+01 -0.508299D+01  0.112071D+02  0.424021D+01
      6  -0.521723D+01  0.509995D+01 -0.737849D+01 -0.869699D+01  0.540607D+01
                11            12            13            14            15 
      1   0.112461D+01  0.343059D+00 -0.308874D+00 -0.170211D+01 -0.501339D+01
      2  -0.388670D+01  0.863624D+01 -0.268281D+01 -0.153181D+01  0.115208D+02
      3   0.276208D+01 -0.897930D+01  0.299168D+01  0.323393D+01 -0.650740D+01
      4  -0.178917D+02  0.626426D+01 -0.131086D+02 -0.206685D+01  0.990515D+01
      5   0.511930D+01 -0.418641D+01  0.439981D+01  0.772793D+01  0.407006D+01
      6   0.796489D+01 -0.637126D+01  0.618614D+01  0.100513D+02  0.223405D+01
                16            17            18            19            20 
      1  -0.208446D+01 -0.610342D+01 -0.424477D+01  0.989974D-01  0.546834D+01
      2   0.857076D+01  0.145834D+02  0.104141D+02 -0.382283D+00 -0.567765D+01
      3  -0.648630D+01 -0.847994D+01 -0.616937D+01  0.283286D+00  0.209313D+00
      4   0.359308D+01  0.104230D+02 -0.364228D+01  0.906307D+01 -0.404269D+01
      5  -0.425168D+01  0.517044D+00 -0.544585D+01 -0.395032D+00  0.112896D+02
      6  -0.525021D+01  0.165324D+01 -0.381541D+01  0.115256D+02  0.470054D+00
                21            22            23            24            25 
      1   0.692366D+01  0.542936D+01  0.470734D+01 -0.738311D+00  0.104824D+02
      2   0.104996D+02 -0.633365D+01  0.334323D+00 -0.895626D+01  0.552825D+01
      3  -0.174232D+02  0.904286D+00 -0.504166D+01  0.969457D+01 -0.160106D+02
      4   0.800675D+01 -0.415586D+01 -0.746679D+01 -0.959867D+01  0.659226D+01
      5  -0.151644D+02  0.104334D+02 -0.101943D+02  0.118345D+02 -0.193775D+02
      6   0.973765D+01 -0.269534D+01 -0.911114D+01 -0.828328D+01  0.834062D+01
                26            27            28            29            30 
      1  -0.140206D+01 -0.169898D+02 -0.564939D+00  0.157154D+01 -0.901558D+01
      2  -0.617523D+01  0.948830D+01  0.827993D+01 -0.283708D+01 -0.695853D+01
      3   0.757729D+01  0.750147D+01 -0.771499D+01  0.126554D+01  0.159741D+02
      4  -0.544948D+01  0.139799D+02  0.194190D+01  0.163264D+01 -0.548761D+00
      5   0.134642D+02 -0.791826D+01 -0.124796D+01 -0.438403D+01 -0.703802D+01
      6  -0.474775D+01  0.893922D+01 -0.752960D+01  0.921356D-01 -0.284322D+01
                31            32            33            34            35 
      1   0.605784D+00  0.129079D+02  0.209571D+01 -0.107401D+02  0.284150D+01
      2  -0.399153D+01 -0.195866D+02  0.106819D+02 -0.494363D+01  0.456806D+01
      3   0.338574D+01  0.667869D+01 -0.127776D+02  0.156837D+02 -0.740956D+01
      4   0.231726D+01  0.472405D+00  0.157737D+01 -0.177724D+01 -0.112901D+00
      5  -0.572337D+01  0.594659D+01  0.235020D+01 -0.292637D+01 -0.202620D+00
      6   0.253093D+01  0.184478D+02 -0.123043D+01 -0.425143D+01  0.153098D+01
                36            37            38            39            40 
      1  -0.293754D+01 -0.356369D+02  0.299020D+01  0.875788D+00  0.122285D+02
      2   0.418430D+01  0.180965D+02 -0.298437D+01  0.229798D+00 -0.428486D+01
      3  -0.124676D+01  0.175404D+02 -0.582804D-02 -0.110559D+01 -0.794360D+01
      4  -0.323071D+01 -0.252829D+01 -0.979748D+01  0.143130D+01 -0.312280D+01
      5   0.921785D+01  0.241082D+00  0.234399D+01 -0.866714D+01  0.359147D+01
      6  -0.745774D+01  0.436980D+01 -0.134189D+01 -0.641499D+00 -0.216508D+01
                41            42            43            44            45 
      1   0.313354D+01 -0.126290D+01  0.303114D+01 -0.269102D+01  0.835872D+01
      2  -0.212526D+00 -0.256098D+01 -0.400926D-01  0.190096D+01 -0.274433D+01
      3  -0.292101D+01  0.382388D+01 -0.299105D+01  0.790062D+00 -0.561440D+01
      4   0.633380D+00 -0.203584D+01  0.140609D+01  0.944851D-01 -0.684571D+00
      5  -0.251861D+01 -0.257607D+01 -0.337924D+01 -0.194140D+01 -0.264468D+01
      6  -0.526347D+01 -0.821032D+01  0.621175D+00 -0.590968D+01 -0.367534D+00
                46            47            48            49            50 
      1  -0.170175D+02  0.709619D+01 -0.289815D+01  0.128770D+02 -0.550878D+01
      2   0.276482D+01  0.217166D+00 -0.475433D-02 -0.560603D+01 -0.565454D+01
      3   0.142527D+02 -0.731336D+01  0.290290D+01 -0.727094D+01  0.111633D+02
      4   0.112457D+02 -0.170917D+01 -0.167501D+01 -0.601396D+00  0.891389D-01
      5  -0.330786D+01 -0.491022D+01  0.418036D+01 -0.431067D+01 -0.489117D+01
      6  -0.828270D+01  0.747429D+00  0.111752D+01  0.916195D+00 -0.644885D+01
                51            52            53            54            55 
      1   0.527580D+01 -0.677757D+01  0.788801D+01  0.120333D+00  0.207786D+02
      2  -0.963618D+01  0.136408D+01 -0.131001D+02  0.614181D+00 -0.122506D+02
      3   0.436038D+01  0.541350D+01  0.521206D+01 -0.734515D+00 -0.852801D+01
      4  -0.686924D+01  0.139175D+01 -0.972138D+01  0.949416D+00  0.254446D+02
      5  -0.187151D+00  0.198942D+01 -0.174086D+01  0.687813D+01  0.282309D+02
      6   0.513822D+01  0.316092D+00  0.158158D+01  0.411828D+01  0.167573D+02
                56            57            58            59            60 
      1   0.365011D+01  0.397496D+01  0.394090D+01  0.897711D+00 -0.130377D+01
      2   0.690248D+00 -0.620932D+01  0.938726D+00  0.388628D+01 -0.538261D+00
      3  -0.434036D+01  0.223436D+01 -0.487963D+01 -0.478399D+01  0.184203D+01
      4   0.178939D+02  0.135220D+02  0.154263D+02  0.135384D+02  0.817438D+01
      5   0.148227D+02  0.206718D+02  0.110287D+02  0.104931D+02  0.862565D+01
      6   0.141611D+02  0.125086D+02  0.102512D+02  0.110202D+02  0.103973D+02
                61            62            63            64            65 
      1   0.201125D+01 -0.112050D+01 -0.334537D+00 -0.727779D+01  0.887529D+01
      2  -0.408506D+01 -0.203381D+01 -0.502782D+01 -0.236952D+01 -0.365233D+01
      3   0.207380D+01  0.315431D+01  0.536236D+01  0.964731D+01 -0.522295D+01
      4   0.727839D+01  0.582113D+01  0.802827D+01 -0.282464D+01  0.265913D+01
      5   0.139141D+02  0.767777D+01  0.121578D+02 -0.528836D+01  0.344082D+01
      6   0.741104D+01  0.852385D+01  0.104683D+02  0.972634D+01 -0.882065D+01
                66            67            68            69            70 
      1   0.166712D+02  0.423068D+01 -0.801865D+01 -0.800321D+01  0.106567D+02
      2   0.407497D+01 -0.259279D+01  0.315082D+01  0.179870D+01  0.202791D+01
      3  -0.207462D+02 -0.163789D+01  0.486783D+01  0.620451D+01 -0.126846D+02
      4   0.477781D+01  0.296551D+01 -0.107862D+01 -0.555936D-01  0.415726D+01
      5   0.700514D+01  0.260663D+01 -0.114058D+01  0.391470D+00  0.663853D+01
      6  -0.143332D+02 -0.419942D+01  0.797390D+01  0.131217D+02 -0.712627D+01
                71            72            73            74            75 
      1  -0.106809D+02 -0.277642D+02 -0.724012D+01  0.945208D+01  0.986335D+00
      2   0.414356D+00 -0.939542D+01  0.167114D+02 -0.183356D+02 -0.725060D+00
      3   0.102665D+02  0.371596D+02 -0.947125D+01  0.888347D+01 -0.261275D+00
      4   0.339021D+00 -0.164199D+01 -0.137273D+02  0.117278D+02 -0.114514D+01
      5   0.829034D+00 -0.155754D+01 -0.207017D+01  0.740119D+00  0.117890D+01
      6   0.148254D+02  0.240662D+02 -0.832590D-01 -0.175149D+01 -0.459862D+01
                76            77            78            79            80 
      1   0.221920D+01 -0.111017D+02 -0.168124D+00  0.588955D-01 -0.231526D+00
      2  -0.938632D+01  0.207890D+02 -0.157180D+01 -0.863749D+00 -0.831229D+00
      3   0.716712D+01 -0.968728D+01  0.173992D+01  0.804854D+00  0.106276D+01
      4   0.114002D+02 -0.742814D+01 -0.649909D+00  0.745645D-01 -0.120364D+01
      5   0.553805D+00 -0.151993D+01 -0.495715D+00  0.265381D+01 -0.591056D+00
      6  -0.123312D+01  0.465030D+00  0.372381D+01 -0.324349D+01  0.519653D+01
                81            82            83            84            85 
      1  -0.206961D+01  0.872585D+01 -0.664491D+01 -0.307433D+00 -0.366712D+01
      2   0.124344D+01  0.451779D+01  0.176032D+02 -0.368560D+01  0.111580D+02
      3   0.826169D+00 -0.132436D+02 -0.109583D+02  0.399304D+01 -0.749091D+01
      4  -0.141373D+01  0.139156D+02  0.188998D+02 -0.617169D+01  0.148390D+02
      5   0.464990D+00 -0.439833D+01 -0.377756D+01  0.507918D+01 -0.259832D+01
      6   0.129921D+01 -0.435067D+01 -0.541677D+01  0.684377D+01 -0.372788D+01
                86            87            88            89            90 
      1  -0.104011D+02  0.333237D+01  0.255126D+00  0.556155D+01 -0.305702D+01
      2   0.290031D+02 -0.822966D+01 -0.358495D+01 -0.119011D+02  0.417232D+01
      3  -0.186020D+02  0.489729D+01  0.332982D+01  0.633959D+01 -0.111530D+01
      4   0.210835D+02 -0.667768D+01 -0.617813D+01 -0.862387D+01  0.689098D+01
      5  -0.520756D+01  0.378767D+01  0.442890D+01  0.438229D+01 -0.458798D+01
      6  -0.888221D+01  0.726227D+01  0.524114D+01  0.940026D+01 -0.727211D+01
                91            92            93            94            95 
      1  -0.591529D+01 -0.269691D+02  0.722788D+01 -0.313174D+02  0.944267D+01
      2   0.100064D+02  0.127177D+02 -0.268863D+01  0.154177D+02 -0.951473D+01
      3  -0.409106D+01  0.142514D+02 -0.453925D+01  0.158997D+02  0.720597D-01
      4  -0.268983D+02  0.715880D+01 -0.215311D+01  0.538190D+01  0.135212D+02
      5   0.455112D+01 -0.494614D+00  0.144799D+02 -0.170397D+01  0.973627D+01
      6   0.342436D+01 -0.259917D+00 -0.240396D+01 -0.206669D+00 -0.274104D+01
                96            97            98            99           100 
      1  -0.152615D+01  0.735298D+01  0.103512D+01  0.179066D+02  0.963162D+01
      2  -0.238669D+01 -0.190899D+01 -0.577355D+01 -0.658974D+01 -0.119856D+02
      3   0.391284D+01 -0.544399D+01  0.473843D+01 -0.113169D+02  0.235398D+01
      4   0.124082D+02 -0.326934D+01  0.127519D+02 -0.632916D+01 -0.106765D+02
      5  -0.537093D+01  0.163656D+02 -0.396052D+01 -0.166367D+02  0.205359D+02
      6  -0.727815D+00 -0.277810D+01  0.104726D+01  0.365201D+01 -0.854316D+01
               101           102           103           104           105 
      1  -0.298750D+01  0.209665D+01 -0.237730D+01 -0.324843D+01  0.380658D+01
      2   0.366627D+01 -0.113757D+02  0.325105D+01 -0.824101D+00  0.396476D+01
      3  -0.678771D+00  0.927906D+01 -0.873754D+00  0.407253D+01 -0.777134D+01
      4   0.929599D+01 -0.811772D+01  0.949028D+01 -0.933938D+01  0.977285D+01
      5  -0.101426D+02  0.236353D+02 -0.103426D+02  0.115224D+02 -0.127830D+02
      6   0.664536D+01 -0.845878D+01  0.723772D+01 -0.107607D+02  0.145564D+02
               106           107           108           109           110 
      1  -0.482672D+00  0.343332D+01 -0.788135D+01 -0.119382D+00 -0.827031D+00
      2  -0.962647D+01  0.437754D+01 -0.170858D+02  0.259518D+01  0.204172D+01
      3   0.101091D+02 -0.781086D+01  0.249671D+02 -0.247580D+01 -0.121468D+01
      4  -0.624628D+01  0.732071D+01 -0.102191D+02  0.550196D+00  0.553877D+01
      5   0.203846D+02 -0.109897D+02  0.284566D+02 -0.772306D+00 -0.212322D+01
      6  -0.740907D+01  0.117523D+02 -0.148541D+02 -0.262921D+01 -0.134839D+01
               111           112           113           114           115 
      1   0.106072D+01 -0.943751D+00 -0.253182D+02  0.968554D+01  0.248746D+01
      2   0.221012D+00  0.231964D+01  0.357244D+02 -0.735065D+01  0.701371D-01
      3  -0.128173D+01 -0.137589D+01 -0.104061D+02 -0.233488D+01 -0.255760D+01
      4  -0.112970D+01  0.581840D+01  0.153785D+01 -0.127140D+01 -0.211097D+00
      5   0.305503D+01 -0.355502D+01 -0.423058D+01  0.117757D+01  0.271598D+01
      6   0.111386D+01 -0.397365D+01 -0.270736D+02  0.131510D+02  0.161326D+01
               116           117           118           119           120 
      1   0.517891D+01 -0.513065D+01  0.206358D+01 -0.114825D+01  0.473265D+01
      2  -0.209410D+01  0.298064D+01 -0.987343D+01  0.159415D+01  0.773098D+01
      3  -0.308482D+01  0.215001D+01  0.780986D+01 -0.445894D+00 -0.124636D+02
      4  -0.319154D-01  0.320924D+00  0.162495D+01  0.157374D+01 -0.152105D+01
      5   0.703218D+00 -0.176824D+01 -0.121608D+02  0.119886D+01  0.130387D+02
      6   0.936563D+01 -0.584683D+01  0.108177D+00 -0.268341D+01  0.212019D+01
               121           122           123           124           125 
      1  -0.708008D-01 -0.359777D+01 -0.356015D+01  0.338752D+01 -0.279833D-01
      2   0.295736D+01  0.109042D+01 -0.498288D+01  0.766124D+01 -0.273675D+01
      3  -0.288656D+01  0.250735D+01  0.854303D+01 -0.110488D+02  0.276473D+01
      4   0.117564D+01 -0.723485D+00 -0.102945D+01 -0.173416D+01 -0.124279D+01
      5   0.453016D+01 -0.277581D+01 -0.417331D+01  0.119983D+02 -0.333674D+00
      6  -0.224873D+01  0.283962D+00  0.416610D+01  0.213173D+01  0.473785D+01
               126           127           128           129           130 
      1  -0.128918D+02  0.770914D+01  0.545808D+00  0.953232D+00  0.370506D+01
      2  -0.133307D+02 -0.247395D+01  0.147235D+00 -0.479029D+00 -0.193469D+01
      3   0.262225D+02 -0.523519D+01 -0.693043D+00 -0.474203D+00 -0.177038D+01
      4   0.178586D+01  0.302512D+00  0.344891D+01  0.199579D+01  0.520955D+01
      5  -0.135650D+02  0.159262D+01  0.161074D+01  0.296762D+01  0.232622D+01
      6  -0.197811D+01  0.278198D+01  0.106338D+01  0.173890D+01  0.107025D+01
               131           132           133           134           135 
      1  -0.851386D+01 -0.486282D+01  0.198633D+01 -0.406080D+01 -0.788254D+01
      2   0.100522D+02  0.429384D+01 -0.166302D+01  0.245825D+01  0.132057D+01
      3  -0.153830D+01  0.568978D+00 -0.323318D+00  0.160255D+01  0.656197D+01
      4   0.256178D+01  0.234495D+01  0.186821D+01  0.203516D+01  0.228128D+01
      5   0.231089D+01  0.261431D+01  0.366387D+01  0.263795D+01  0.409308D+01
      6   0.893680D+01  0.832298D+01  0.133221D+01  0.740512D+01  0.835029D+01
               136           137           138           139           140 
      1   0.281106D+02 -0.685626D+01  0.453169D+01 -0.220446D+02 -0.192203D+01
      2  -0.150102D+02  0.139897D+01 -0.235324D+01  0.113208D+02  0.417713D+01
      3  -0.131004D+02  0.545729D+01 -0.217846D+01  0.107238D+02 -0.225510D+01
      4  -0.762905D+01  0.168994D+02 -0.137589D+01  0.109913D+02 -0.472608D+01
      5   0.292166D+01 -0.121325D+01  0.151032D+02 -0.212145D+01  0.132187D+01
      6  -0.843257D+00 -0.598998D+00  0.402210D+00 -0.976616D-01  0.182119D+00
               141           142           143           144           145 
      1   0.255490D+00  0.357138D+01  0.866203D+00 -0.481419D+01  0.111195D+02
      2   0.496481D+00 -0.112880D+01 -0.284218D+00  0.979876D+00 -0.171015D+01
      3  -0.751971D+00 -0.244258D+01 -0.581986D+00  0.383431D+01 -0.940933D+01
      4   0.141930D+01 -0.118981D+01 -0.384344D+00 -0.272537D+01 -0.680185D+01
      5   0.687128D+00  0.124179D+01 -0.147257D+01  0.521356D+00  0.464364D+01
      6   0.522091D+01  0.720378D+00  0.333674D+01 -0.925679D+00  0.252194D+02
               146           147           148           149           150 
      1  -0.627153D+01  0.479386D+01 -0.607141D+01  0.940324D+01  0.680734D+01
      2   0.326684D+01 -0.312151D+01  0.335300D+01  0.916925D+01  0.777031D+01
      3   0.300469D+01 -0.167236D+01  0.271841D+01 -0.185725D+02 -0.145776D+02
      4  -0.900417D+01  0.102217D+02 -0.864603D+01  0.190120D+01  0.561254D+01
      5   0.209906D+02 -0.164128D+02  0.206161D+02  0.437097D+01  0.190431D+01
      6  -0.136657D+01 -0.241314D+00 -0.127842D+01 -0.409001D+01 -0.206022D+02
               151           152           153           154           155 
      1   0.371086D+01  0.341507D+01 -0.804129D+01  0.111696D+01  0.312663D+02
      2  -0.168408D+01  0.885873D+01 -0.605031D+01  0.610711D+00 -0.161692D+02
      3  -0.202678D+01 -0.122738D+02  0.140916D+02 -0.172768D+01 -0.150971D+02
      4   0.587701D+01  0.452589D+01  0.145179D+01  0.309321D+02 -0.380928D+01
      5  -0.128952D+02  0.183008D+01 -0.415794D+01 -0.170398D+02  0.447605D+01
      6  -0.419237D+00 -0.149398D+02 -0.121665D+02 -0.128421D+01 -0.463955D+00
               156           157           158           159           160 
      1  -0.190010D+02  0.366766D+02 -0.737488D+01  0.816498D+01 -0.246510D+02
      2   0.628793D+01 -0.201935D+02  0.385813D+00 -0.420403D+01  0.602668D+01
      3   0.127131D+02 -0.164831D+02  0.698907D+01 -0.396095D+01  0.186243D+02
      4   0.466729D+01 -0.814547D+01 -0.261880D+02 -0.147600D+02  0.727902D+01
      5  -0.201091D+02  0.762551D+01 -0.140310D+02  0.619031D+01 -0.308224D+02
      6  -0.337779D+00 -0.991125D+00  0.867685D+00  0.128069D+01  0.200506D+00
               161           162           163           164           165 
      1   0.765238D+01 -0.222134D+02  0.949900D+01  0.251765D+02 -0.803988D+01
      2  -0.397699D+01  0.190134D+02 -0.222701D+02 -0.123841D+02 -0.395754D+01
      3  -0.367539D+01  0.320005D+01  0.127711D+02 -0.127924D+02  0.119974D+02
      4  -0.152380D+02  0.488967D+01  0.210796D+02 -0.200641D+02  0.998276D+01
      5   0.491437D+01  0.322970D+02 -0.871071D+01  0.243045D+01 -0.873997D+01
      6   0.641509D+00  0.163496D+01  0.406435D+01 -0.670632D+01  0.819402D+01
               166           167           168           169           170 
      1   0.240269D+02 -0.100819D+02 -0.629355D+00 -0.108109D+02  0.160023D+01
      2  -0.120978D+02  0.931563D+01  0.102493D+02 -0.485581D+01  0.134796D+02
      3  -0.119291D+02  0.766273D+00 -0.961998D+01  0.156667D+02 -0.150799D+02
      4  -0.164513D+02 -0.818182D+01 -0.145491D+02  0.124896D+02 -0.175368D+02
      5   0.228756D+01 -0.119523D+02  0.174839D+01 -0.126963D+02  0.720184D+01
      6  -0.564653D+01  0.129507D+02  0.208850D+00  0.110178D+02 -0.401678D+01
               171           172           173           174           175 
      1  -0.396879D+01 -0.553165D+01  0.787524D+01 -0.121381D+02  0.608186D+01
      2   0.115000D+02 -0.784426D+00 -0.414392D+01 -0.347238D+01 -0.346621D+01
      3  -0.753124D+01  0.631608D+01 -0.373133D+01  0.156104D+02 -0.261565D+01
      4   0.127269D+02 -0.703551D+01  0.548179D+01 -0.449926D+01  0.603568D+01
      5   0.248521D+02  0.179502D+02 -0.987968D+01  0.118930D+02 -0.108316D+02
      6  -0.193235D+02 -0.141573D+02  0.127196D+02 -0.114768D+02  0.981277D+01
               176           177           178           179           180 
      1  -0.104514D+02  0.849837D+01 -0.548052D+01  0.473693D+01 -0.858147D+01
      2   0.581056D+01 -0.671211D+00 -0.236623D+01 -0.223825D+00 -0.312233D+01
      3   0.464088D+01 -0.782716D+01  0.784675D+01 -0.451311D+01  0.117038D+02
      4  -0.373525D+01  0.121441D+01 -0.246655D+01  0.116601D+01 -0.226913D+01
      5   0.533282D+01 -0.492885D+01  0.817385D+01 -0.359374D+01  0.705182D+01
      6  -0.133562D+02  0.140908D+02 -0.621531D+01  0.885033D+01 -0.803771D+01
               181           182           183           184           185 
      1   0.705259D+01 -0.659227D+00  0.458040D+01  0.854395D+00 -0.510866D+01
      2  -0.712491D+01  0.332270D+00  0.732031D+01 -0.221720D+00  0.286175D+01
      3   0.723166D-01  0.326957D+00 -0.119007D+02 -0.632674D+00  0.224691D+01
      4   0.133662D+02  0.109153D+02 -0.829904D+01  0.103231D+02  0.956904D+01
      5  -0.232088D+02 -0.132999D+02  0.191779D+02 -0.133351D+02 -0.100759D+02
      6  -0.132086D+02 -0.117449D+02  0.110333D+02 -0.895179D+01 -0.125501D+02
               186           187           188           189           190 
      1   0.533944D+01  0.162043D+01  0.269513D+01 -0.401577D+01 -0.202100D+01
      2   0.105898D+01  0.456620D+01  0.899439D+00 -0.563053D+01 -0.148561D+01
      3  -0.639842D+01 -0.618663D+01 -0.359456D+01  0.964630D+01  0.350660D+01
      4  -0.657447D+01 -0.440811D+01 -0.393170D+01  0.516807D+01 -0.112924D+00
      5   0.930016D+01  0.130676D+02  0.623021D+01 -0.117620D+02 -0.815804D+00
      6   0.133721D+02  0.637650D+01  0.886775D+01 -0.769564D+01  0.468651D+00
               191           192           193           194           195 
      1  -0.430993D+00 -0.234878D+01 -0.970617D+00 -0.905309D+01 -0.144133D+02
      2  -0.433729D+00  0.215402D+00 -0.268497D+00 -0.364532D+01 -0.114600D+02
      3   0.864722D+00  0.213338D+01  0.123911D+01  0.126984D+02  0.258733D+02
      4   0.304385D+01 -0.545759D-01  0.273305D+01 -0.580486D+01 -0.331435D+01
      5   0.125565D+01  0.633854D+01  0.405834D+01 -0.286668D+01 -0.456182D+01
      6   0.587625D+00  0.617727D+00  0.562820D+00  0.209611D+02  0.158051D+02
               196           197           198           199           200 
      1  -0.151299D+01 -0.690878D+01 -0.138467D+02  0.837907D+00  0.482838D+01
      2   0.317689D+00 -0.717015D+01 -0.128095D+02  0.631781D+00  0.368937D+00
      3   0.119530D+01  0.140789D+02  0.266563D+02 -0.146969D+01 -0.519732D+01
      4   0.158360D-02 -0.245033D+01 -0.288643D+01  0.530935D+01  0.110711D+02
      5   0.586518D+01 -0.241404D+01 -0.456831D+01  0.399262D+01  0.914385D+00
      6   0.413816D+00  0.128015D+02  0.120257D+02  0.149416D+01 -0.116391D-02
               201           202           203           204           205 
      1   0.597065D+01  0.162303D+02  0.405488D+01 -0.202918D+01  0.116458D+02
      2  -0.195785D+01 -0.515077D+01  0.896155D+01  0.212799D+01 -0.411838D+01
      3  -0.401280D+01 -0.110796D+02 -0.130164D+02 -0.988099D-01 -0.752741D+01
      4   0.179954D+01  0.178555D+02  0.414651D+02  0.699334D+01  0.262692D+01
      5   0.281559D+01 -0.368202D+00  0.679431D+01  0.753317D+01  0.455056D+01
      6  -0.102036D+00 -0.661994D+00 -0.257969D+00  0.389253D+01 -0.695543D+00
               206           207           208           209           210 
      1  -0.905203D+00 -0.129229D+01  0.626248D+02 -0.155529D+02  0.171051D+02
      2   0.122214D+01 -0.588409D+00 -0.311195D+02  0.705214D+01 -0.891740D+01
      3  -0.316935D+00  0.188070D+01 -0.315053D+02  0.850073D+01 -0.818774D+01
      4   0.799086D+01  0.432312D+01 -0.165180D+02  0.124531D+02 -0.473377D+01
      5   0.507031D+01  0.158940D+01  0.182154D+02 -0.483291D+01  0.151992D+02
      6   0.332235D+01  0.216214D+01 -0.428264D+00  0.360949D+00 -0.280560D+00
               211           212           213           214           215 
      1  -0.309891D+02  0.116290D+02 -0.671995D+01  0.326202D+02 -0.686923D+01
      2   0.144549D+02 -0.299276D+01  0.339344D+01 -0.169632D+02  0.345268D+01
      3   0.165342D+02 -0.863627D+01  0.332652D+01 -0.156569D+02  0.341655D+01
      4   0.172048D+02 -0.113423D+02  0.703809D+01 -0.832843D+01  0.970411D+01
      5  -0.828867D+01  0.686709D+01 -0.891808D+01  0.216212D+02 -0.622365D+01
      6   0.126373D+01 -0.124254D+01  0.176535D+01 -0.119132D+01  0.195875D+01
               216           217           218           219           220 
      1   0.151860D+02  0.177680D+02 -0.223380D+01 -0.102384D+02 -0.578664D+01
      2  -0.106487D+02 -0.122155D+02  0.109721D+01  0.821294D+01  0.337147D+01
      3  -0.453728D+01 -0.555248D+01  0.113659D+01  0.202543D+01  0.241517D+01
      4  -0.576447D+01 -0.140516D+01  0.397960D+01 -0.136931D+01  0.617380D+01
      5   0.122389D+02 -0.144905D+02 -0.845737D+00  0.185340D+02  0.605414D+00
      6  -0.169246D+01 -0.470329D+00 -0.110297D+01  0.983814D+00 -0.195564D+01
               221           222           223           224           225 
      1   0.225915D+01 -0.213380D+00 -0.228759D+02 -0.194263D+01  0.130405D+02
      2  -0.129251D+01 -0.176514D+00  0.181066D+02  0.106571D+01 -0.217308D+02
      3  -0.966640D+00  0.389894D+00  0.476931D+01  0.876919D+00  0.869030D+01
      4   0.181538D+01 -0.468651D+01 -0.235645D+01 -0.737718D+01  0.508979D-01
      5  -0.431077D+01 -0.242648D+01  0.315503D+02 -0.815920D-01 -0.481892D+02
      6   0.303368D+00  0.391056D+01  0.109461D+01  0.435308D+01 -0.266919D+01
               226           227           228           229           230 
      1  -0.146032D+02 -0.182184D+02  0.605910D-01 -0.134827D+02 -0.174662D+02
      2   0.139413D+02  0.223537D+02  0.774114D+00  0.148722D+02  0.244721D+02
      3   0.661993D+00 -0.413529D+01 -0.834705D+00 -0.138949D+01 -0.700591D+01
      4   0.117979D+02  0.311099D+00 -0.263056D+01  0.471848D+01  0.161164D+00
      5   0.587382D+01  0.804455D+00 -0.453905D+00  0.157275D+01  0.272207D+01
      6  -0.674274D+00  0.409699D+01  0.406610D+01  0.192386D+01  0.185041D+01
               231           232           233           234           235 
      1  -0.170027D+00  0.217069D+01  0.781394D+00 -0.330649D+01  0.400693D+01
      2  -0.105913D+01 -0.558449D-01 -0.380130D+01  0.152848D+01 -0.206684D+01
      3   0.122916D+01 -0.211485D+01  0.301991D+01  0.177801D+01 -0.194009D+01
      4   0.749730D+00 -0.212766D+01  0.321684D+01 -0.451974D+00 -0.740146D+01
      5  -0.938784D+00  0.142993D+01 -0.155649D+01 -0.177276D+01 -0.783809D+01
      6   0.421807D+01  0.162920D+01  0.400830D+01  0.155029D+01  0.412608D+01
               236           237           238           239           240 
      1  -0.296480D+01 -0.332124D+01 -0.990775D+00 -0.178774D+01 -0.330316D+01
      2   0.201549D+00  0.496596D+01 -0.809636D+00  0.153886D+01  0.303481D+01
      3   0.276325D+01 -0.164473D+01  0.180041D+01  0.248875D+00  0.268356D+00
      4   0.752804D+01  0.460621D+01  0.448741D+01 -0.262937D+01 -0.318700D+01
      5   0.317183D+01  0.117018D+02  0.402271D+00 -0.331071D+01 -0.238224D+01
      6  -0.216528D+01 -0.649715D+01 -0.138959D+01  0.355838D+01  0.747457D+01
               241           242           243           244           245 
      1  -0.417545D+01 -0.569001D+01 -0.861923D+01  0.240973D+02 -0.114972D+02
      2   0.613136D+01  0.457945D+01 -0.118221D+02  0.798172D+00 -0.868844D+01
      3  -0.195591D+01  0.111056D+01  0.204414D+02 -0.248954D+02  0.201857D+02
      4   0.828822D+01 -0.103167D+02 -0.135217D+02 -0.349253D+02  0.320420D+02
      5   0.156013D+02 -0.106851D+02 -0.339160D+02  0.529265D+01 -0.313082D+01
      6  -0.941254D+01  0.145874D+02  0.294377D+02 -0.502038D+01  0.353332D+01
               246           247           248           249           250 
      1   0.577992D+01 -0.870889D+01  0.270225D+01 -0.739396D+00  0.101469D+02
      2   0.762200D+00 -0.663524D+01  0.162471D+02 -0.426431D+01  0.899520D+00
      3  -0.654212D+01  0.153441D+02 -0.189494D+02  0.500371D+01 -0.110464D+02
      4  -0.810994D+01  0.242562D+02 -0.273451D+02  0.783262D+01 -0.162817D+02
      5   0.818217D+01 -0.236157D+01  0.492304D+01 -0.401352D+01  0.891212D+01
      6  -0.730941D+01  0.347077D+01 -0.488416D+01  0.554029D+01 -0.747167D+01
               251           252           253           254           255 
      1  -0.221546D+01  0.335483D+01 -0.124062D+02  0.134691D+02 -0.214465D+01
      2  -0.884185D+01  0.916652D-03  0.519695D+01 -0.310624D+01  0.146570D+01
      3   0.110573D+02 -0.335574D+01  0.720927D+01 -0.103629D+02  0.678957D+00
      4   0.177267D+02 -0.103055D+02  0.177162D+02 -0.174098D+02 -0.649808D+00
      5  -0.703839D+01  0.528899D+01 -0.205341D+01 -0.451774D+00 -0.178788D+02
      6   0.766236D+01 -0.522988D+01  0.437775D+00 -0.368636D+00  0.235024D+01
               256           257           258           259           260 
      1   0.763648D+00 -0.291199D+01 -0.187536D+01 -0.780524D+00 -0.496304D+00
      2  -0.280250D+01 -0.103988D+02  0.101485D-02  0.191580D+00  0.171774D+01
      3   0.203886D+01  0.133108D+02  0.187434D+01  0.588943D+00 -0.122144D+01
      4  -0.303022D+02 -0.413386D+02  0.220955D+01  0.246015D+01  0.355455D+01
      5   0.143340D+01  0.191428D+01 -0.112967D+02  0.696663D+01 -0.551028D+01
      6  -0.953096D+00  0.649897D+00 -0.897817D+01  0.796654D+00  0.420422D+01
               261           262           263           264           265 
      1  -0.137565D+01 -0.224386D+02 -0.372320D+02  0.372287D+01 -0.556120D+02
      2  -0.669206D+01  0.159026D+02  0.169959D+02 -0.235291D+01  0.264912D+02
      3   0.806771D+01  0.653592D+01  0.202362D+02 -0.136996D+01  0.291209D+02
      4  -0.524006D+01 -0.413941D+02  0.815678D+01  0.123010D+01 -0.389784D+01
      5   0.358757D+01  0.380864D+01  0.110726D+01  0.618020D+01  0.128214D+01
      6   0.208700D+01 -0.107771D+01 -0.517239D+00 -0.234523D+01 -0.898634D-01
               266           267           268           269           270 
      1  -0.260622D+01  0.207635D+01  0.584873D+01  0.188513D+01  0.522096D+01
      2   0.268858D+01 -0.350166D+01 -0.203743D+01 -0.404193D+01 -0.581770D+01
      3  -0.823616D-01  0.142531D+01 -0.381130D+01  0.215681D+01  0.596740D+00
      4   0.185081D+02  0.345121D+01  0.142316D+01  0.465116D+01  0.360006D+02
      5   0.384864D+01  0.317250D+02 -0.744237D+01  0.382001D+02 -0.857646D+01
      6  -0.189032D+01 -0.102603D+02  0.538969D+01 -0.143965D+02  0.288179D+01
               271           272           273           274           275 
      1   0.167045D+02  0.113774D+02 -0.163964D+01  0.389464D+02 -0.105478D+02
      2  -0.527225D+01 -0.366003D+01  0.537739D+00 -0.120060D+02  0.327499D+02
      3  -0.114323D+02 -0.771741D+01  0.110190D+01 -0.269405D+02 -0.222021D+02
      4   0.176759D+02  0.215040D+02 -0.505453D+00  0.367477D+02  0.741218D+02
      5  -0.116138D+01 -0.485763D+00  0.101674D+02 -0.260516D+00 -0.298477D+01
      6  -0.332760D+00  0.200021D+00  0.342435D+00  0.922995D+00 -0.327375D+00
               276           277           278           279           280 
      1   0.180958D+01 -0.338341D+01  0.994894D+00 -0.209711D+00  0.729413D+01
      2  -0.992234D+00  0.166011D+01 -0.142880D+01  0.113627D+01 -0.440178D+01
      3  -0.817343D+00  0.172331D+01  0.433906D+00 -0.926555D+00 -0.289236D+01
      4  -0.303119D+01 -0.149385D+01 -0.418802D+01  0.168536D+02 -0.157685D+01
      5   0.169820D+02  0.129148D+02  0.158169D+02 -0.434545D+01  0.636771D+01
      6   0.149016D+02  0.347980D+01  0.113277D+02 -0.208878D+01 -0.280126D+01
               281           282           283           284           285 
      1  -0.214239D+01  0.706223D+01 -0.838962D+01  0.265426D+00  0.181968D+01
      2   0.116677D+01 -0.320858D+01  0.318414D+01  0.459027D+01 -0.203762D+01
      3   0.975624D+00 -0.385365D+01  0.520548D+01 -0.485569D+01  0.217943D+00
      4   0.237180D+01 -0.306894D+01  0.140561D+02 -0.276436D+02  0.148214D+02
      5  -0.251057D+01  0.426545D+01 -0.643418D+01  0.152730D+02 -0.220510D+02
      6   0.132312D+00 -0.163252D+00  0.299087D+01 -0.895531D+01  0.106011D+02
               286           287           288           289           290 
      1   0.183772D+02 -0.235491D+00 -0.216939D+01  0.977252D+02  0.191501D+02
      2  -0.103658D+02 -0.810995D+00 -0.473511D+01 -0.519717D+02 -0.112618D+02
      3  -0.801146D+01  0.104649D+01  0.690451D+01 -0.457535D+02 -0.788829D+01
      4  -0.124102D+02  0.215363D+02 -0.228417D+02  0.139518D+02  0.148321D+02
      5   0.170279D+02 -0.243299D+02  0.404944D+02 -0.149792D+01 -0.358061D+00
      6  -0.524999D+01  0.124514D+02 -0.143563D+02  0.835136D+00  0.379076D+00
               291           292           293           294           295 
      1  -0.236696D+01  0.428466D+02  0.145484D+02 -0.884507D+00 -0.525856D+01
      2   0.121872D+01 -0.228273D+02 -0.691894D+01  0.678771D+00  0.275754D+01
      3   0.114824D+01 -0.200193D+02 -0.762947D+01  0.205735D+00  0.250102D+01
      4  -0.397017D+00  0.163419D+02  0.134162D+02 -0.993198D+00 -0.406927D+00
      5   0.134342D+02 -0.530854D+00 -0.911619D+00  0.436718D+01  0.133607D+02
      6  -0.731135D+00  0.415566D+00  0.407206D+00  0.182720D+01 -0.166769D+00
               296           297           298           299           300 
      1  -0.771441D+00  0.897527D+01  0.604408D+01 -0.300000D+01 -0.650456D+01
      2   0.801809D+00 -0.553490D+01 -0.273418D+01  0.174353D+01  0.291907D+01
      3  -0.303683D-01 -0.344037D+01 -0.330990D+01  0.125648D+01  0.358549D+01
      4  -0.154726D+01 -0.503938D+00 -0.175358D+01  0.194575D+01  0.230892D+01
      5  -0.164785D+00 -0.829715D+00 -0.541944D+01  0.160665D+01  0.213140D+01
      6   0.262068D+01 -0.185326D+00  0.285088D+01  0.330453D+00  0.317704D+00
               301           302           303           304           305 
      1  -0.105053D+02 -0.100793D+01 -0.305356D+01 -0.169682D+02 -0.893076D+00
      2   0.343082D+01  0.926101D+01  0.484452D+01  0.811159D+01  0.423369D+01
      3   0.707450D+01 -0.825309D+01 -0.179096D+01  0.885656D+01 -0.334061D+01
      4   0.157148D+02 -0.354668D+02 -0.162000D+02  0.112969D+02 -0.237298D+02
      5   0.492199D+01 -0.170754D+02 -0.218256D+02  0.127001D+02 -0.237046D+02
      6  -0.277582D+01  0.988640D+01  0.100496D+02 -0.448793D+01  0.120322D+02
               306 
      1  -0.254323D+01
      2  -0.307577D+00
      3   0.285081D+01
      4  -0.221118D+02
      5  -0.289098D+02
      6   0.115434D+02
 Leave Link  716 at Sat Jul 10 01:11:44 2021, MaxMem= 17179869184 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164271D+03 -0.214268D+01 -0.754780D+00
      2  -0.214268D+01  0.138657D+03 -0.443423D+00
      3  -0.754780D+00 -0.443423D+00  0.132723D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.138100D+00  0.845252D+00  0.829139D+01
      2  -0.364602D+00 -0.459149D+01 -0.492446D+02
      3  -0.452324D+01  0.230171D+02  0.359581D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.949572D+01  0.371156D+01 -0.250536D+00
      2   0.976989D+01  0.445451D+01 -0.113614D+02
      3  -0.274166D+00 -0.816607D+01  0.116119D+02
      4  -0.113091D+02 -0.516236D+02 -0.134433D+02
      5   0.742588D+01 -0.123609D+02 -0.103328D+03
      6  -0.543699D+01  0.144283D+01 -0.327867D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.261105D+01  0.303907D+01  0.349441D+01  0.235052D+01  0.731163D+00
      2   0.303907D+01  0.839417D+00  0.223752D+00  0.731163D+00 -0.332820D+01
      3   0.349441D+01  0.223752D+00 -0.376447D+01  0.637350D+00 -0.532537D-01
                 6             7             8             9            10 
      1   0.637350D+00  0.203254D+01  0.398498D+00 -0.332000D+01 -0.167551D+01
      2  -0.532537D-01  0.398498D+00 -0.752541D-01  0.282163D+01  0.385470D+01
      3   0.254780D+01 -0.332000D+01  0.282163D+01  0.398676D+00 -0.130391D+01
                11            12            13            14            15 
      1   0.385470D+01 -0.130391D+01  0.344739D+01  0.350570D+00 -0.139322D+01
      2   0.322364D+00 -0.138250D+01  0.350570D+00  0.141431D+00 -0.308163D+01
      3  -0.138250D+01  0.202735D+01 -0.139322D+01 -0.308163D+01 -0.288471D+01
                16            17            18            19            20 
      1  -0.681847D+00 -0.165488D+01  0.142539D+01 -0.130596D+01 -0.356556D+01
      2  -0.165488D+01 -0.277891D+01 -0.158257D+01 -0.356556D+01  0.435266D+00
      3   0.142539D+01 -0.158257D+01  0.204745D+01  0.361833D+00 -0.126357D+01
                21            22            23            24            25 
      1   0.361833D+00 -0.389015D+01  0.428207D+00 -0.150292D+01 -0.565326D+00
      2  -0.126357D+01  0.428207D+00  0.370131D+01  0.215940D+01 -0.124814D+01
      3   0.473803D+01 -0.150292D+01  0.215940D+01 -0.243606D+01  0.579549D+01
                26            27            28            29            30 
      1  -0.124814D+01  0.579549D+01  0.105958D+01  0.188766D+01  0.147332D+01
      2   0.868469D+00 -0.342486D+01  0.188766D+01 -0.189540D+00  0.979826D-01
      3  -0.342486D+01 -0.128262D+01  0.147332D+01  0.979826D-01 -0.337933D+01
                31            32            33            34            35 
      1   0.266862D+01 -0.817905D+00 -0.214486D+00  0.129766D+00  0.403734D+00
      2  -0.817905D+00 -0.484467D+01  0.113339D+01  0.403734D+00  0.380203D+00
      3  -0.214486D+00  0.113339D+01  0.239696D+01 -0.367040D+01  0.182493D+01
                36            37            38            39            40 
      1  -0.367040D+01 -0.579288D+01  0.167005D+01 -0.133937D+01  0.294629D+01
      2   0.182493D+01  0.167005D+01  0.782570D+00 -0.109616D+01 -0.269747D+00
      3  -0.564856D+00 -0.133937D+01 -0.109616D+01  0.314112D+01 -0.108300D+01
                41            42            43            44            45 
      1  -0.269747D+00 -0.108300D+01  0.470719D+00 -0.795839D+00  0.138052D+01
      2  -0.899990D+00 -0.230782D+01 -0.795839D+00 -0.151941D+01 -0.173496D+01
      3  -0.230782D+01 -0.277172D+01  0.138052D+01 -0.173496D+01  0.169507D+01
                46            47            48            49            50 
      1   0.212608D+01 -0.463970D+01  0.312033D+01 -0.613414D+01  0.100711D+01
      2  -0.463970D+01  0.116257D+01  0.514993D+00  0.100711D+01  0.536604D+00
      3   0.312033D+01  0.514993D+00  0.523379D+00  0.485599D+00  0.377926D+01
                51            52            53            54            55 
      1   0.485599D+00  0.351246D+01 -0.807360D-01 -0.110206D-01 -0.571120D+01
      2   0.377926D+01 -0.807360D-01  0.437869D+01  0.184720D+01 -0.267676D+01
      3   0.153654D+01 -0.110206D-01  0.184720D+01 -0.389197D+01 -0.263939D+01
                56            57            58            59            60 
      1  -0.267676D+01 -0.263939D+01 -0.216509D+01 -0.190340D+01 -0.111016D+01
      2  -0.252571D+01 -0.155639D+01 -0.190340D+01 -0.199211D+01 -0.124149D+01
      3  -0.155639D+01 -0.236864D+01 -0.111016D+01 -0.124149D+01 -0.148879D+01
                61            62            63            64            65 
      1  -0.147407D+01 -0.930941D+00 -0.147985D+01  0.186743D+01 -0.119829D+01
      2  -0.930941D+00 -0.894815D+00 -0.130404D+01 -0.119829D+01  0.140068D+01
      3  -0.147985D+01 -0.130404D+01 -0.189655D+01 -0.238340D+01  0.134225D+01
                66            67            68            69            70 
      1  -0.238340D+01 -0.696760D+00  0.630908D+00  0.388045D+00 -0.179631D+01
      2   0.134225D+01  0.630908D+00 -0.103105D+01 -0.139315D+01  0.630391D+00
      3   0.381471D+01  0.388045D+00 -0.139315D+01 -0.162334D+01  0.215502D+01
                71            72            73            74            75 
      1   0.630391D+00  0.215502D+01  0.408122D+01 -0.340208D+01  0.242567D+00
      2  -0.170377D+01 -0.232608D+01 -0.340208D+01  0.328419D+01  0.238732D+00
      3  -0.232608D+01 -0.623281D+01  0.242567D+00  0.238732D+00  0.880870D+00
                76            77            78            79            80 
      1  -0.322575D+01  0.164889D+01  0.185278D+00 -0.946032D-01  0.152301D+00
      2   0.164889D+01 -0.334884D+01  0.214969D+00  0.152301D+00  0.186855D+00
      3   0.185278D+00  0.214969D+00 -0.364148D+00  0.592044D+00 -0.563104D+00
                81            82            83            84            85 
      1   0.592044D+00 -0.310947D+01 -0.184084D+01  0.874499D+00 -0.174948D+01
      2  -0.563104D+00 -0.184084D+01 -0.328824D+01  0.963227D+00 -0.227731D+01
      3  -0.169218D+00  0.874499D+00  0.963227D+00 -0.139011D+01  0.635768D+00
                86            87            88            89            90 
      1  -0.227731D+01  0.635768D+00  0.975448D+00  0.105739D+01 -0.100421D+01
      2  -0.496946D+01  0.161562D+01  0.105739D+01  0.231236D+01 -0.127378D+01
      3   0.161562D+01 -0.108767D+01 -0.100421D+01 -0.127378D+01  0.124039D+01
                91            92            93            94            95 
      1  -0.929211D+00  0.564222D+01 -0.218035D+01  0.676388D+01 -0.567443D+00
      2   0.564222D+01 -0.132815D+01  0.916168D+00 -0.567443D+00 -0.372211D+01
      3  -0.218035D+01  0.916168D+00 -0.450668D+01  0.108916D+01 -0.351897D+01
                96            97            98            99           100 
      1   0.108916D+01 -0.159940D+01  0.679671D+00 -0.408627D+01 -0.324942D+01
      2  -0.351897D+01  0.679671D+00 -0.299275D+01  0.101055D+01  0.180254D+01
      3   0.142375D+01 -0.408627D+01  0.101055D+01  0.472056D+01 -0.274585D+01
               101           102           103           104           105 
      1   0.180254D+01 -0.274585D+01  0.193390D+01 -0.140489D+01  0.131502D+01
      2  -0.140992D+01  0.131457D+01 -0.140489D+01  0.189039D+01 -0.226163D+01
      3   0.131457D+01 -0.338515D+01  0.131502D+01 -0.226163D+01  0.254580D+01
               106           107           108           109           110 
      1  -0.210891D+01  0.897511D+00 -0.298651D+01  0.303184D+00  0.892754D+00
      2   0.897511D+00 -0.176668D+01  0.220400D+01  0.892754D+00  0.387575D+00
      3  -0.298651D+01  0.220400D+01 -0.560394D+01 -0.277218D+00 -0.157513D+00
               111           112           113           114           115 
      1  -0.277218D+00  0.148969D+01  0.859021D+00 -0.247946D+00 -0.436041D-01
      2  -0.157513D+00  0.859021D+00  0.779589D+01 -0.203573D+01 -0.145963D+00
      3   0.311231D+00 -0.247946D+00 -0.203573D+01  0.172627D+01  0.409310D+00
               116           117           118           119           120 
      1  -0.145963D+00  0.409310D+00  0.341336D+01 -0.501453D+00 -0.228130D+01
      2  -0.100648D+01  0.110399D+01 -0.501453D+00  0.554983D+00  0.116587D+00
      3   0.110399D+01 -0.806428D+00 -0.228130D+01  0.116587D+00  0.286847D+01
               121           122           123           124           125 
      1  -0.171782D+01  0.558527D+00  0.847717D+00 -0.279413D+01  0.458672D-01
      2   0.558527D+00 -0.659410D-01 -0.939763D+00  0.458672D-01 -0.924034D+00
      3   0.847717D+00 -0.939763D+00 -0.171745D+01  0.260545D+01 -0.417425D+00
               126           127           128           129           130 
      1   0.260545D+01  0.144203D+01  0.936355D+00  0.997323D+00  0.260072D+01
      2  -0.417425D+00  0.936355D+00  0.154350D+00  0.324472D+00  0.214945D-01
      3  -0.461921D+01  0.997323D+00  0.324472D+00  0.295096D+00  0.402096D+00
               131           132           133           134           135 
      1   0.214945D-01  0.402096D+00  0.139045D+01  0.432966D+00  0.218358D+00
      2   0.308193D+01  0.170472D+01  0.432966D+00  0.179052D+01  0.162204D+01
      3   0.170472D+01  0.214725D+01  0.218358D+00  0.162204D+01  0.236006D+01
               136           137           138           139           140 
      1   0.138819D+01 -0.180358D+01  0.636546D+00 -0.497511D+01  0.696391D+00
      2  -0.180358D+01 -0.121460D+01 -0.164489D+00  0.696391D+00 -0.184689D+01
      3   0.636546D+00 -0.164489D+00 -0.175254D+01  0.307462D-02  0.617631D+00
               141           142           143           144           145 
      1   0.307462D-02  0.802325D+00 -0.155523D+00 -0.480523D+00 -0.104262D+00
      2   0.617631D+00 -0.155523D+00  0.221255D+00 -0.631995D+00  0.447654D+01
      3  -0.367314D+00 -0.480523D+00 -0.631995D+00  0.374144D+00 -0.331501D+01
               146           147           148           149           150 
      1   0.447654D+01 -0.331501D+01  0.456368D+01 -0.242679D+00 -0.231421D+00
      2  -0.224932D+00 -0.196647D+00 -0.242679D+00 -0.139453D+01 -0.406905D+01
      3  -0.196647D+00 -0.224854D+00 -0.231421D+00 -0.406905D+01 -0.171940D+01
               151           152           153           154           155 
      1  -0.283789D+01 -0.668737D-01  0.521010D-01 -0.252063D+00 -0.410875D+01
      2  -0.668737D-01 -0.319552D+01 -0.172940D+01 -0.410875D+01  0.520565D+00
      3   0.521010D-01 -0.172940D+01  0.302110D+01  0.220771D+01 -0.715008D+00
               156           157           158           159           160 
      1   0.220771D+01 -0.484944D+01  0.104656D+01 -0.908268D+00  0.259790D+01
      2  -0.715008D+00  0.104656D+01  0.421053D+01  0.228529D+01 -0.905810D+00
      3   0.274707D+01 -0.908268D+00  0.228529D+01 -0.795077D+00  0.391182D+01
               161           162           163           164           165 
      1  -0.905810D+00  0.391182D+01 -0.372550D+00 -0.495693D+01  0.163141D+01
      2   0.236068D+01 -0.624102D+00 -0.495693D+01  0.341809D+00 -0.101646D+01
      3  -0.624102D+00 -0.448582D+01  0.163141D+01 -0.101646D+01  0.234050D+01
               166           167           168           169           170 
      1  -0.445600D+01 -0.131612D+00 -0.110055D+01  0.189019D+01 -0.117262D+01
      2  -0.131612D+00  0.250955D+01  0.287011D+01 -0.117262D+01  0.306606D+01
      3  -0.110055D+01  0.287011D+01 -0.284048D+00  0.293689D+01 -0.128372D+01
               171           172           173           174           175 
      1   0.293689D+01  0.448049D+01 -0.232568D+01  0.241758D+01 -0.248079D+01
      2  -0.128372D+01 -0.232568D+01  0.202707D+01 -0.142261D+01  0.165576D+01
      3  -0.528497D+01  0.241758D+01 -0.142261D+01  0.302330D+01 -0.114073D+01
               176           177           178           179           180 
      1   0.165576D+01 -0.114073D+01  0.129339D+01 -0.668338D+00  0.153607D+01
      2  -0.223201D+01  0.196063D+01 -0.668338D+00  0.103907D+01 -0.953444D+00
      3   0.196063D+01 -0.181797D+01  0.153607D+01 -0.953444D+00  0.170506D+01
               181           182           183           184           185 
      1  -0.404066D+01 -0.220902D+01  0.229040D+01 -0.234758D+01 -0.153212D+01
      2  -0.220902D+01 -0.189379D+01  0.136417D+01 -0.153212D+01 -0.211506D+01
      3   0.229040D+01  0.136417D+01 -0.297934D+01  0.109446D+01  0.185592D+01
               186           187           188           189           190 
      1   0.109446D+01  0.152056D+01  0.722465D+00 -0.155299D+01  0.174180D+00
      2   0.185592D+01  0.722465D+00  0.106150D+01 -0.911634D+00  0.183941D+00
      3  -0.189008D+01 -0.155299D+01 -0.911634D+00  0.185619D+01  0.100342D+01
               191           192           193           194           195 
      1   0.183941D+00  0.100342D+01  0.703986D+00  0.511655D-01  0.180377D+00
      2   0.621295D-01  0.123711D+00  0.511655D-01  0.392682D+01  0.270261D+01
      3   0.123711D+00  0.281211D+00  0.180377D+00  0.270261D+01  0.434517D+01
               196           197           198           199           200 
      1   0.810691D+00  0.823424D-01  0.812311D-01 -0.214853D-02 -0.909184D+00
      2   0.823424D-01  0.191582D+01  0.214161D+01 -0.909184D+00 -0.995353D+00
      3   0.812311D-01  0.214161D+01  0.386867D+01 -0.841150D+00 -0.577621D-02
               201           202           203           204           205 
      1  -0.841150D+00 -0.242968D+01 -0.170127D+01  0.132267D+00 -0.151534D+01
      2  -0.577621D-02 -0.170127D+01 -0.590212D+01 -0.107003D+01 -0.419886D-01
      3  -0.680939D-01  0.132267D+00 -0.107003D+01 -0.113872D+01 -0.135134D+00
               206           207           208           209           210 
      1  -0.419886D-01 -0.135134D+00 -0.704348D+01  0.188654D+01 -0.200487D+01
      2  -0.117093D+01 -0.880567D+00  0.188654D+01 -0.121767D+01  0.520641D+00
      3  -0.880567D+00 -0.522178D+00 -0.200487D+01  0.520641D+00 -0.155315D+01
               211           212           213           214           215 
      1   0.398045D+01 -0.177593D+01  0.907330D+00 -0.404665D+01  0.951139D+00
      2  -0.177593D+01  0.120390D+01 -0.864084D+00  0.951139D+00 -0.115212D+01
      3   0.907330D+00 -0.864084D+00  0.101605D+01 -0.234050D+01  0.703963D+00
               216           217           218           219           220 
      1  -0.234050D+01 -0.234023D+01  0.276504D+00  0.156024D+01  0.835715D+00
      2   0.703963D+00  0.276504D+00 -0.373880D+00  0.132779D+00 -0.668363D+00
      3  -0.128440D+01  0.156024D+01  0.132779D+00 -0.185830D+01 -0.666756D-01
               221           222           223           224           225 
      1  -0.668363D+00 -0.666756D-01  0.362002D+01  0.261838D+00 -0.353316D+01
      2  -0.267252D+00  0.597947D+00  0.261838D+00  0.871354D+00 -0.286169D-01
      3   0.597947D+00  0.335455D+00 -0.353316D+01 -0.286169D-01  0.645735D+01
               226           227           228           229           230 
      1   0.500778D+01  0.152503D+01 -0.513309D+00  0.131971D+01  0.194265D+01
      2   0.152503D+01  0.317971D+01  0.405382D+00  0.194265D+01  0.326124D+01
      3  -0.513309D+00  0.405382D+00  0.690269D+00  0.873241D-01 -0.158280D+00
               231           232           233           234           235 
      1   0.873241D-01 -0.495287D+00  0.170096D+00  0.308516D+00 -0.119717D+01
      2  -0.158280D+00  0.170096D+00 -0.705098D+00  0.572821D+00  0.101886D+01
      3   0.608073D+00  0.308516D+00  0.572821D+00  0.357488D+00  0.107294D+01
               236           237           238           239           240 
      1   0.101886D+01  0.107294D+01  0.434265D+00 -0.339226D+00  0.244461D-01
      2  -0.676755D+00 -0.332805D+00 -0.339226D+00  0.392656D+00  0.692990D+00
      3  -0.332805D+00 -0.156740D+01  0.244461D-01  0.692990D+00  0.547275D+00
               241           242           243           244           245 
      1   0.163037D+01 -0.787922D+00 -0.219849D+01 -0.480572D+01  0.362394D+01
      2  -0.787922D+00  0.210989D+01  0.221992D+01  0.362394D+01 -0.361095D+01
      3  -0.219849D+01  0.221992D+01  0.727851D+01 -0.115566D+01  0.754995D+00
               246           247           248           249           250 
      1  -0.115566D+01  0.262495D+01 -0.251361D+01  0.679008D+00 -0.227515D+01
      2   0.754995D+00 -0.251361D+01  0.367272D+01 -0.112367D+01  0.166985D+01
      3  -0.133398D+01  0.679008D+00 -0.112367D+01  0.711545D+00 -0.145451D+01
               251           252           253           254           255 
      1   0.166985D+01 -0.145451D+01  0.363182D+01  0.206952D+01 -0.424638D+00
      2  -0.259048D+01  0.126527D+01  0.206952D+01  0.803626D+00 -0.109185D+00
      3   0.126527D+01 -0.793726D+00 -0.424638D+00 -0.109185D+00  0.752031D+00
               256           257           258           259           260 
      1  -0.824962D+00 -0.231730D+01 -0.967332D-01 -0.183270D+00  0.235548D+00
      2  -0.231730D+01 -0.488082D+01  0.299412D+00  0.235548D+00  0.418565D+00
      3  -0.967332D-01  0.299412D+00 -0.444754D+00  0.918080D+00 -0.850918D+00
               261           262           263           264           265 
      1   0.918080D+00 -0.173542D+01 -0.444865D+01  0.382009D+00 -0.600817D+01
      2  -0.850918D+00 -0.444865D+01  0.239663D+00  0.191172D+00 -0.103296D+01
      3   0.417840D+00  0.382009D+00  0.191172D+00  0.378930D+00  0.182005D+00
               266           267           268           269           270 
      1  -0.103296D+01  0.182005D+00  0.651838D+00  0.204825D+00 -0.992370D+00
      2   0.284935D+01  0.412356D+00  0.204825D+00  0.595354D+00  0.455393D+01
      3   0.412356D+00  0.389645D+01 -0.992370D+00  0.455393D+01 -0.104234D+01
               271           272           273           274           275 
      1   0.143910D+01  0.225626D+01 -0.242074D+00  0.810632D+01  0.347329D+01
      2   0.225626D+01  0.122169D+01  0.166361D-01  0.347329D+01  0.102209D+02
      3  -0.242074D+00  0.166361D-01  0.673873D-01  0.815700D-01 -0.483204D+00
               276           277           278           279           280 
      1   0.815700D-01 -0.558772D+00 -0.153836D+00  0.110291D+01  0.883557D+00
      2  -0.483204D+00 -0.153836D+00 -0.619235D+00  0.243047D+01 -0.846714D-01
      3   0.186372D+01  0.110291D+01  0.243047D+01 -0.626248D+00  0.777474D+00
               281           282           283           284           285 
      1  -0.846714D-01  0.777474D+00 -0.149211D+01  0.137343D+01 -0.590285D+00
      2  -0.327470D-01 -0.962908D-01  0.137343D+01 -0.343776D+01  0.183565D+01
      3  -0.962908D-01  0.145517D+00 -0.590285D+00  0.183565D+01 -0.259686D+01
               286           287           288           289           290 
      1   0.263694D+01 -0.113235D+01  0.153418D+01  0.906139D+01  0.177788D+01
      2  -0.113235D+01  0.263650D+01 -0.287280D+01  0.177788D+01  0.142022D+01
      3   0.153418D+01 -0.287280D+01  0.485732D+01 -0.217249D+00 -0.579701D-01
               291           292           293           294           295 
      1  -0.217249D+00  0.443365D+01  0.152347D+01 -0.743836D-01 -0.534962D+00
      2  -0.579701D-01  0.152347D+01  0.132809D+01 -0.116301D+00 -0.525140D-01
      3   0.111878D+01 -0.743836D-01 -0.116301D+00  0.356836D+00  0.114729D+01
               296           297           298           299           300 
      1  -0.525140D-01  0.114729D+01  0.696899D+00 -0.149236D+00 -0.679291D+00
      2  -0.177268D+00 -0.127049D+00 -0.149236D+00 -0.158190D+00  0.111831D-01
      3  -0.127049D+00 -0.629747D-01 -0.679291D+00  0.111831D-01 -0.132388D-01
               301           302           303           304           305 
      1  -0.176072D+01  0.149717D+01  0.402898D+00 -0.236009D+01  0.997842D+00
      2   0.149717D+01 -0.444447D+01 -0.201985D+01  0.997842D+00 -0.294039D+01
      3   0.402898D+00 -0.201985D+01 -0.257682D+01  0.113529D+01 -0.280126D+01
               306 
      1   0.113529D+01
      2  -0.280126D+01
      3  -0.348563D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.261401D+01 -0.133129D+01 -0.682610D+01 -0.147377D+01  0.100384D+02
      2   0.150831D+01  0.776529D+01  0.171157D+02  0.602758D+01  0.172925D+01
      3   0.232665D+00 -0.628625D+01 -0.592519D+01 -0.185257D+01 -0.790811D+01
                 6             7             8             9            10 
      1   0.326151D+01 -0.634337D+01  0.806968D+01 -0.821944D+01 -0.965590D+00
      2  -0.193593D+01  0.885591D+01 -0.363334D+01 -0.973391D+01  0.182343D+01
      3  -0.511462D-01 -0.343415D+01 -0.523617D+00  0.988776D+01  0.488293D+01
                11            12            13            14            15 
      1  -0.448781D+01  0.541764D+01 -0.476727D+01 -0.771945D+01 -0.994409D+01
      2  -0.614526D+00  0.253850D+01 -0.314256D+00  0.195404D+01  0.228836D+01
      3  -0.118813D+02  0.126597D+01 -0.761969D+01 -0.109715D+01  0.272511D+01
                16            17            18            19            20 
      1   0.387147D+01 -0.263453D+01  0.690648D+01  0.655715D+01  0.334408D+00
      2  -0.193078D+01  0.132382D+01 -0.598212D+00 -0.649960D+01 -0.347241D+01
      3  -0.140471D+00  0.222985D+01 -0.536608D+01 -0.777867D+01 -0.423817D+01
                21            22            23            24            25 
      1   0.608992D+00  0.167883D+01 -0.964489D+01 -0.511871D+01  0.137274D+00
      2  -0.428389D+01 -0.406687D+01 -0.283047D+01  0.149379D+01 -0.131749D+02
      3  -0.280867D+01  0.227608D+01  0.631877D+01  0.164476D+01 -0.225284D+01
                26            27            28            29            30 
      1   0.129469D+01  0.671708D+01 -0.777398D+01 -0.100048D+00  0.415022D+01
      2   0.308663D+01  0.121888D+02  0.458905D+01  0.380932D+01  0.468100D+01
      3   0.100389D+01 -0.299622D+01  0.275709D+01  0.186811D+01  0.412883D+01
                31            32            33            34            35 
      1  -0.614578D+00  0.955221D+01 -0.780259D+01  0.545298D+01 -0.105981D+01
      2   0.694444D+01 -0.119877D+01 -0.485780D+00 -0.895406D+00 -0.111073D+00
      3   0.802028D+01  0.295752D+01 -0.139982D+01  0.396783D+01 -0.524754D+00
                36            37            38            39            40 
      1  -0.139893D+01  0.965622D+00  0.897671D+00 -0.192192D+01 -0.885945D+00
      2  -0.682656D+01  0.468131D+01 -0.250227D+01  0.119239D+01 -0.418302D+01
      3  -0.382804D+01 -0.347527D+01  0.417016D+01  0.810635D+00  0.697541D+01
                41            42            43            44            45 
      1   0.126534D+01 -0.194853D+01 -0.455681D+01  0.136280D+01 -0.417729D+01
      2  -0.139921D+01 -0.174501D+01 -0.445028D+01 -0.213794D+01  0.176855D+01
      3   0.669840D+00  0.131785D+01 -0.769340D+00 -0.533996D-01  0.123365D+01
                46            47            48            49            50 
      1  -0.267666D+01  0.470000D+00 -0.327141D+00  0.180934D+01  0.385307D+01
      2  -0.205182D+01  0.403009D+01  0.282933D+00  0.397944D+01 -0.331600D+01
      3  -0.277322D+01  0.679669D+00 -0.174432D+01  0.773894D+01 -0.151636D+01
                51            52            53            54            55 
      1   0.180950D+01  0.297527D+00  0.954856D+01  0.734403D+00  0.249535D+01
      2  -0.312393D+00 -0.893102D+01 -0.422732D+00  0.194955D+01 -0.103813D+02
      3   0.179423D+01 -0.192625D+01  0.378459D+01  0.135012D+01  0.699778D+01
                56            57            58            59            60 
      1   0.454462D+01 -0.168091D+01  0.269431D+01  0.226735D+01 -0.132577D+01
      2  -0.309218D+01  0.342630D+00 -0.368588D+01 -0.249894D+01  0.469030D+00
      3  -0.190277D+01  0.138634D+01  0.235929D+01 -0.863089D+00 -0.639734D-01
                61            62            63            64            65 
      1  -0.596960D+00  0.117619D+01  0.335958D+00 -0.782440D+00 -0.276276D+01
      2  -0.180365D+01 -0.572149D-01  0.374346D+00  0.892324D+01 -0.421018D+01
      3   0.940102D+00 -0.602027D+00  0.259440D+00 -0.575941D+01  0.198498D+01
                66            67            68            69            70 
      1   0.407681D+01 -0.609538D+00 -0.102430D+00 -0.121259D+01  0.232272D+01
      2  -0.880577D+01 -0.253126D+01  0.346759D+01  0.280860D+01 -0.934417D+01
      3   0.543069D+01  0.321665D+01 -0.187596D+01 -0.297965D+01  0.451216D+01
                71            72            73            74            75 
      1   0.293212D+01 -0.480524D+01  0.988436D+00  0.266163D+00  0.373846D+01
      2   0.429037D+01  0.123084D+02  0.537067D+00 -0.191780D+00  0.109069D+01
      3  -0.244439D+01 -0.692099D+01 -0.145280D+02  0.860206D+01 -0.710964D+00
                76            77            78            79            80 
      1  -0.349984D+00  0.106196D+01 -0.212714D+01  0.122029D+01  0.318918D+00
      2  -0.337610D+00  0.179013D+00 -0.104284D+01 -0.175113D+01  0.321648D+00
      3   0.114870D+02 -0.492213D+01 -0.185125D+00  0.665085D+00 -0.455807D+00
                81            82            83            84            85 
      1  -0.471476D+00  0.201187D+01  0.203711D+01 -0.498203D+01  0.184958D+01
      2  -0.162435D+00 -0.180756D+00 -0.575575D+00  0.216399D+01  0.160383D+00
      3  -0.161729D+01  0.930982D+01 -0.694607D+00 -0.167418D+01  0.360826D+01
                86            87            88            89            90 
      1   0.367780D+01 -0.464342D+01 -0.225543D+01 -0.100323D+01  0.427780D+01
      2  -0.791516D+00  0.187360D+01 -0.634969D+00  0.108544D+01 -0.124561D+01
      3   0.519695D+00 -0.673742D+00 -0.251897D+01 -0.960725D-01  0.125256D+01
                91            92            93            94            95 
      1   0.211892D+01 -0.295276D+00  0.152645D+01  0.268289D+00  0.954420D+00
      2   0.317421D+01 -0.232041D+01  0.129096D+02 -0.329266D+01  0.709189D+01
      3   0.143970D+02 -0.309711D+01  0.785031D+00  0.800857D+01 -0.100474D+02
                96            97            98            99           100 
      1  -0.486811D+01  0.152188D+01  0.223629D+01 -0.425113D+01 -0.211401D+01
      2  -0.184744D+01  0.487980D+01 -0.153979D+01 -0.121580D+02 -0.258887D+01
      3  -0.717053D+01  0.101183D+01 -0.627535D+01 -0.292083D+00  0.618240D+00
               101           102           103           104           105 
      1   0.328430D+01  0.132940D+00  0.171541D+01 -0.318445D+01  0.991303D+00
      2   0.115191D+01  0.280401D+01  0.250249D+01  0.111582D+01 -0.246272D+01
      3  -0.311313D+01  0.800677D+00  0.356238D+00  0.282399D+01 -0.296085D+01
               106           107           108           109           110 
      1  -0.497918D+00  0.505974D+01 -0.873479D+00 -0.160103D+01 -0.577670D+00
      2  -0.212360D+01 -0.138163D+01  0.404141D+01 -0.234540D+00  0.134544D+01
      3  -0.582716D+00 -0.323880D+01  0.202258D+01  0.524681D+00  0.360132D+00
               111           112           113           114           115 
      1  -0.318622D+00 -0.104635D+01 -0.124853D+02 -0.159340D+01  0.413638D-01
      2   0.819265D-01  0.302866D+01  0.252158D+01  0.402140D+00 -0.158285D+01
      3  -0.224317D+00  0.566080D+01 -0.157661D+01 -0.229401D+00 -0.440714D+00
               116           117           118           119           120 
      1   0.817902D+00 -0.989511D+00  0.389627D+01 -0.225014D+01 -0.335371D+01
      2  -0.948478D-01  0.114172D+01  0.743726D+01 -0.894133D+00 -0.993912D+00
      3  -0.411496D+00  0.361318D+00  0.414713D+01 -0.241079D+01 -0.333782D+01
               121           122           123           124           125 
      1  -0.174415D+01  0.194056D+01  0.279726D+01 -0.263586D+01  0.437635D+01
      2  -0.436732D+01  0.956827D+00  0.160609D+00 -0.620084D+01 -0.289006D+00
      3  -0.835879D+00  0.164390D+01  0.131276D+01 -0.333318D+01  0.163320D+01
               126           127           128           129           130 
      1   0.573377D+01  0.717736D+00 -0.183406D-01 -0.784810D+00  0.175558D+00
      2   0.284926D+01  0.338159D+00  0.816053D-01  0.508267D+00 -0.172097D+01
      3   0.366206D+01 -0.284786D+00  0.106187D+01  0.457619D+00  0.700702D+01
               131           132           133           134           135 
      1   0.625080D+00 -0.240868D+01  0.663557D+00  0.113466D+01 -0.190151D+01
      2   0.192283D+01  0.201581D+01 -0.332266D+01  0.967355D+00  0.249714D+01
      3  -0.239364D+01 -0.115425D+01  0.192369D+01 -0.106180D+01 -0.209825D+00
               136           137           138           139           140 
      1  -0.236108D+00  0.184201D+00 -0.364320D+00  0.296264D+00 -0.152752D+01
      2  -0.641473D+00 -0.855540D+00  0.745800D+01  0.195143D+01  0.608358D+00
      3   0.107682D+02 -0.961002D+01  0.153915D+01  0.967251D+01  0.426707D+01
               141           142           143           144           145 
      1  -0.336691D+01  0.583028D+00  0.125134D+01  0.349206D+00  0.964503D+01
      2  -0.139952D+01 -0.781794D+01 -0.248332D+01  0.616659D+00  0.181082D+01
      3  -0.804618D+00 -0.481224D+00  0.113561D+00  0.192633D+01  0.285880D+01
               146           147           148           149           150 
      1  -0.177076D+00 -0.697682D-01 -0.613658D+00 -0.776756D+01 -0.177073D+02
      2  -0.127293D+02  0.146447D+02 -0.119824D+02  0.258251D+01  0.805344D+00
      3  -0.609696D+01  0.358233D+01 -0.235901D+01 -0.357097D+00 -0.183246D+01
               151           152           153           154           155 
      1  -0.654407D+00 -0.954739D+01 -0.311043D+01 -0.987374D+00  0.603786D-01
      2   0.599263D+01  0.155400D+01 -0.216181D+01 -0.889056D+01  0.402272D+01
      3   0.215036D+01 -0.194767D+01 -0.111540D+01 -0.163535D+02  0.206776D+01
               156           157           158           159           160 
      1   0.343247D+00  0.644666D+00  0.286732D+01 -0.789722D+00  0.112437D+01
      2  -0.995314D+01  0.519416D+01 -0.977973D+01  0.272941D+01 -0.203488D+02
      3  -0.310038D+01  0.918970D+01  0.191377D+02  0.919927D+01 -0.436979D+01
               161           162           163           164           165 
      1   0.300087D+01 -0.827694D+00 -0.836718D+01  0.255162D+01 -0.613478D+01
      2   0.188725D+01  0.171456D+02 -0.313985D+01  0.714506D+01 -0.443978D+01
      3   0.951406D+01 -0.218202D+01 -0.135577D+02 -0.156481D+02  0.967549D+00
               166           167           168           169           170 
      1   0.224366D+01 -0.643999D+01  0.137587D+01 -0.848183D+01  0.942381D+01
      2   0.626021D+01 -0.602041D+01  0.143077D+01 -0.102265D+02  0.415477D+01
      3  -0.102781D+02  0.384253D+01  0.407579D+01  0.159343D+01  0.406529D+01
               171           172           173           174           175 
      1   0.137882D+02 -0.474843D+01  0.543314D+01 -0.962051D-01  0.366398D+01
      2   0.109308D+02 -0.153985D+02  0.709019D+01 -0.585216D+01  0.833493D+01
      3   0.309998D+01 -0.695607D+01  0.150799D+01 -0.279835D+01  0.482091D+01
               176           177           178           179           180 
      1  -0.460550D+01  0.172197D+01 -0.820619D+00  0.330921D+01 -0.880741D+00
      2  -0.560052D+01  0.325123D+01 -0.592512D+01  0.285914D+01 -0.446926D+01
      3  -0.188505D+01  0.206151D+01 -0.176088D+01  0.589555D+00 -0.200600D+01
               181           182           183           184           185 
      1  -0.423640D+01 -0.530520D+01 -0.123515D+00 -0.332104D+01 -0.415242D+01
      2   0.114394D+02  0.481441D+01 -0.129916D+01  0.644453D+01  0.265451D+01
      3   0.330730D+01 -0.127360D+01 -0.611792D+00  0.234521D+01 -0.106046D+01
               186           187           188           189           190 
      1   0.150078D+01  0.876051D+00  0.345715D+01 -0.104731D+01  0.117134D+01
      2  -0.619287D+00 -0.421742D+01 -0.150566D+01  0.207701D+01 -0.866616D+00
      3   0.465960D+00 -0.865624D+00  0.736444D+00  0.657973D+00  0.221880D+00
               191           192           193           194           195 
      1  -0.232326D+00  0.376788D+00 -0.125325D+00  0.159143D+02  0.841329D+01
      2  -0.625143D+00 -0.180641D+01 -0.374767D+01 -0.137790D+01 -0.271455D+01
      3  -0.577395D+00 -0.531647D+00  0.169688D+01  0.194972D+01  0.152181D+01
               196           197           198           199           200 
      1   0.304892D+00  0.909733D+01  0.804184D+01 -0.122697D+01 -0.477959D-01
      2  -0.380879D+01 -0.152601D+01 -0.279925D+01  0.376577D+01  0.170453D+00
      3   0.275382D+00  0.122439D+01  0.118446D+01 -0.447552D+01 -0.326712D+01
               201           202           203           204           205 
      1   0.161794D+00  0.730803D-01 -0.281140D+01 -0.378882D+01  0.878669D+00
      2   0.225998D-01 -0.613729D+00  0.506891D+01  0.578183D+01 -0.170215D+01
      3   0.110879D+01 -0.772805D+00 -0.252446D+02 -0.548103D+01  0.215600D+01
               206           207           208           209           210 
      1  -0.520530D+00 -0.157868D+01  0.899881D-01  0.530830D+00  0.339548D+00
      2   0.401054D+01  0.350080D+01  0.896398D+01 -0.280305D+01  0.904301D+01
      3  -0.576933D+01 -0.447455D+01  0.801313D+01 -0.773321D+01  0.284736D+01
               211           212           213           214           215 
      1  -0.273859D+00 -0.480695D+00 -0.103678D+01 -0.114379D+00  0.110626D+01
      2  -0.401744D+01  0.380869D+01 -0.532061D+01  0.795331D+01 -0.291134D+01
      3  -0.508581D+01  0.553348D+01 -0.341263D+01  0.376313D+01 -0.600477D+01
               216           217           218           219           220 
      1   0.396660D+00  0.531243D+00 -0.806873D+00 -0.717980D+00 -0.158938D+00
      2   0.640279D+01 -0.449169D+01 -0.582060D+00  0.776523D+01 -0.331528D+00
      3   0.298820D+01  0.152244D+01 -0.248253D+01 -0.396907D-01 -0.133342D+01
               221           222           223           224           225 
      1   0.783461D-01 -0.549594D+00 -0.533524D+00  0.308832D+01  0.179604D+01
      2  -0.180095D+01 -0.114236D+01  0.857706D+01 -0.315846D-01 -0.255282D+02
      3  -0.104349D+01  0.178563D+01  0.561355D+00  0.473943D+01  0.201138D+00
               226           227           228           229           230 
      1   0.329630D+01  0.126963D+01 -0.336787D+01  0.176266D+01  0.267608D+01
      2  -0.386749D+01 -0.186969D+01  0.542855D+00 -0.128167D+01 -0.126213D+01
      3   0.216680D+02  0.846822D+01 -0.146459D+01  0.942196D+01  0.107693D+02
               231           232           233           234           235 
      1  -0.304021D+01 -0.150151D+01 -0.618521D+00  0.173252D-01 -0.150441D+01
      2  -0.204931D+00 -0.119255D+01 -0.994357D+00 -0.780033D+00 -0.104015D+01
      3  -0.416827D+00 -0.167187D+01 -0.930900D+00  0.221592D+01  0.239910D-01
               236           237           238           239           240 
      1  -0.293493D+00  0.366921D+01  0.518316D-01 -0.143522D+01 -0.178591D+01
      2   0.804469D-01  0.363310D+01 -0.603665D+00 -0.137119D+01 -0.943954D+00
      3  -0.395102D+00  0.127951D+01  0.120254D+01  0.907937D-03  0.116880D+01
               241           242           243           244           245 
      1   0.441211D+01  0.155419D+00 -0.172731D+02  0.537906D+01 -0.365230D+01
      2   0.642919D+00 -0.416342D+01 -0.154503D+02  0.490829D+01 -0.382168D+01
      3   0.275676D+01  0.402429D+01  0.373378D+00 -0.371904D+01 -0.250748D+01
               246           247           248           249           250 
      1   0.530343D+01 -0.347465D+01  0.468076D+01 -0.425086D+01  0.419102D+01
      2   0.566763D+01 -0.303443D+01  0.408120D+01 -0.303933D+01  0.336789D+01
      3  -0.126785D+01  0.274996D+01  0.315698D+01 -0.623691D+00 -0.238181D+01
               251           252           253           254           255 
      1  -0.301294D+01  0.330961D+01 -0.193723D+00 -0.185012D+00 -0.127656D+01
      2  -0.357307D+01  0.331296D+01 -0.292491D+01 -0.105493D+01 -0.109089D+02
      3  -0.319910D+01 -0.321304D+00 -0.114130D+02  0.162370D+01  0.703180D+00
               256           257           258           259           260 
      1   0.390555D+00  0.149352D+01  0.704144D+01  0.452029D+00  0.967317D+01
      2  -0.199829D+01  0.196814D+01 -0.720448D+01 -0.193653D+02 -0.134123D+01
      3   0.284805D+01  0.213787D+02 -0.161035D+01  0.197622D+01 -0.226858D+01
               261           262           263           264           265 
      1  -0.175279D+01 -0.170571D+00  0.407936D+00  0.161883D+01  0.699588D-01
      2   0.177069D+01  0.174315D+01  0.157396D+01  0.575530D+01  0.194855D+01
      3   0.290299D+01  0.213384D+02 -0.116371D+01 -0.119901D+01  0.133866D+02
               266           267           268           269           270 
      1   0.852144D+00  0.208797D+01 -0.316107D+01  0.740838D+01 -0.606950D+00
      2   0.190456D+01  0.170065D+02 -0.795519D+01  0.220176D+02 -0.483342D+01
      3  -0.118982D+02 -0.197144D+01 -0.128569D+01 -0.293388D+01 -0.202680D+02
               271           272           273           274           275 
      1   0.536788D+00  0.377253D+00  0.845573D+00  0.216933D+00 -0.246542D-01
      2  -0.966053D+00 -0.378128D-01  0.635414D+01  0.504774D+00 -0.241945D+01
      3  -0.801367D+01 -0.687388D+01 -0.380558D+00  0.236534D+01 -0.369613D+02
               276           277           278           279           280 
      1  -0.957665D+01 -0.110216D+00  0.273532D+00  0.107769D+01  0.446614D+00
      2   0.107983D+02  0.478465D+01  0.771938D+01 -0.302145D+01  0.315726D+01
      3   0.195522D+01 -0.926225D+00  0.253770D+01 -0.778950D+01  0.601284D-01
               281           282           283           284           285 
      1  -0.133987D+00 -0.597517D-01 -0.637355D+00  0.881106D+00 -0.352769D+01
      2  -0.326279D+00  0.743887D+00 -0.198575D+01  0.825238D+01 -0.115099D+02
      3  -0.572809D+00 -0.370681D+00 -0.318091D+01  0.138180D+02 -0.759428D+01
               286           287           288           289           290 
      1   0.112109D+01 -0.740684D+00  0.479834D+01 -0.989560D-01  0.110773D-01
      2   0.439625D+01 -0.127300D+02  0.213735D+02 -0.194193D+01 -0.531694D+00
      3   0.176150D+01 -0.109234D+02  0.119131D+02 -0.140357D+02 -0.100749D+02
               291           292           293           294           295 
      1   0.321360D+00  0.609776D-01 -0.380975D-01 -0.807095D+00  0.709507D+00
      2   0.706448D+01 -0.754472D+00 -0.688961D+00  0.215949D+01  0.367725D+01
      3   0.504654D+00 -0.775026D+01 -0.752865D+01  0.582041D+00  0.536853D+00
               296           297           298           299           300 
      1   0.449064D+00 -0.149055D-01 -0.549887D+00 -0.294117D-02 -0.225313D+00
      2  -0.658703D+00 -0.463029D+00 -0.307172D+01 -0.191750D+00  0.311741D+00
      3   0.940884D+00  0.832755D-01  0.546192D+00  0.161763D+00  0.811769D+00
               301           302           303           304           305 
      1   0.807686D+00 -0.203868D+01 -0.415551D+01  0.100991D+01 -0.153961D+01
      2   0.156933D+01 -0.951193D+01 -0.115438D+02  0.343118D+01 -0.126210D+02
      3  -0.319862D+01  0.183205D+02  0.863147D+01 -0.140993D+01  0.125280D+02
               306 
      1  -0.431983D+01
      2  -0.156450D+02
      3   0.118110D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.473906D+00 -0.111379D+02 -0.204956D+02 -0.799776D+01 -0.106592D+02
      2   0.693545D+01  0.399421D+01 -0.410145D+01  0.391388D+01  0.111891D+02
      3  -0.646155D+01  0.714369D+01  0.245970D+02  0.408389D+01 -0.529896D+00
      4  -0.159511D+02 -0.997951D+01 -0.131022D+02 -0.896126D+01  0.596665D+01
      5  -0.173362D+02 -0.149261D+02 -0.904210D+01 -0.115097D+02 -0.110758D+01
      6  -0.218791D+02 -0.682621D+01  0.564712D+01 -0.506921D+01  0.859532D+01
                 6             7             8             9            10 
      1   0.179836D+01 -0.149365D+02  0.297567D+01  0.155360D+02  0.726541D+01
      2   0.807323D+01 -0.319655D+01  0.690800D+01 -0.739529D+01 -0.190005D+02
      3  -0.987159D+01  0.181331D+02 -0.988368D+01 -0.814070D+01  0.117350D+02
      4  -0.796240D+00 -0.721827D+01  0.228303D+00  0.823189D-01  0.109956D+01
      5  -0.635996D+01 -0.167467D+01 -0.508299D+01  0.112071D+02  0.424021D+01
      6  -0.521723D+01  0.509995D+01 -0.737849D+01 -0.869699D+01  0.540607D+01
                11            12            13            14            15 
      1   0.112461D+01  0.343059D+00 -0.308874D+00 -0.170211D+01 -0.501339D+01
      2  -0.388670D+01  0.863624D+01 -0.268281D+01 -0.153181D+01  0.115208D+02
      3   0.276208D+01 -0.897930D+01  0.299168D+01  0.323393D+01 -0.650740D+01
      4  -0.178917D+02  0.626426D+01 -0.131086D+02 -0.206685D+01  0.990515D+01
      5   0.511930D+01 -0.418641D+01  0.439981D+01  0.772793D+01  0.407006D+01
      6   0.796489D+01 -0.637126D+01  0.618614D+01  0.100513D+02  0.223405D+01
                16            17            18            19            20 
      1  -0.208446D+01 -0.610342D+01 -0.424477D+01  0.989974D-01  0.546834D+01
      2   0.857076D+01  0.145834D+02  0.104141D+02 -0.382283D+00 -0.567765D+01
      3  -0.648630D+01 -0.847994D+01 -0.616937D+01  0.283286D+00  0.209313D+00
      4   0.359308D+01  0.104230D+02 -0.364228D+01  0.906307D+01 -0.404269D+01
      5  -0.425168D+01  0.517044D+00 -0.544585D+01 -0.395032D+00  0.112896D+02
      6  -0.525021D+01  0.165324D+01 -0.381541D+01  0.115256D+02  0.470054D+00
                21            22            23            24            25 
      1   0.692366D+01  0.542936D+01  0.470734D+01 -0.738311D+00  0.104824D+02
      2   0.104996D+02 -0.633365D+01  0.334323D+00 -0.895626D+01  0.552825D+01
      3  -0.174232D+02  0.904286D+00 -0.504166D+01  0.969457D+01 -0.160106D+02
      4   0.800675D+01 -0.415586D+01 -0.746679D+01 -0.959867D+01  0.659226D+01
      5  -0.151644D+02  0.104334D+02 -0.101943D+02  0.118345D+02 -0.193775D+02
      6   0.973765D+01 -0.269534D+01 -0.911114D+01 -0.828328D+01  0.834062D+01
                26            27            28            29            30 
      1  -0.140206D+01 -0.169898D+02 -0.564939D+00  0.157154D+01 -0.901558D+01
      2  -0.617523D+01  0.948830D+01  0.827993D+01 -0.283708D+01 -0.695853D+01
      3   0.757729D+01  0.750147D+01 -0.771499D+01  0.126554D+01  0.159741D+02
      4  -0.544948D+01  0.139799D+02  0.194190D+01  0.163264D+01 -0.548761D+00
      5   0.134642D+02 -0.791826D+01 -0.124796D+01 -0.438403D+01 -0.703802D+01
      6  -0.474775D+01  0.893922D+01 -0.752960D+01  0.921356D-01 -0.284322D+01
                31            32            33            34            35 
      1   0.605784D+00  0.129079D+02  0.209571D+01 -0.107401D+02  0.284150D+01
      2  -0.399153D+01 -0.195866D+02  0.106819D+02 -0.494363D+01  0.456806D+01
      3   0.338574D+01  0.667869D+01 -0.127776D+02  0.156837D+02 -0.740956D+01
      4   0.231726D+01  0.472405D+00  0.157737D+01 -0.177724D+01 -0.112901D+00
      5  -0.572337D+01  0.594659D+01  0.235020D+01 -0.292637D+01 -0.202620D+00
      6   0.253093D+01  0.184478D+02 -0.123043D+01 -0.425143D+01  0.153098D+01
                36            37            38            39            40 
      1  -0.293754D+01 -0.356369D+02  0.299020D+01  0.875788D+00  0.122285D+02
      2   0.418430D+01  0.180965D+02 -0.298437D+01  0.229798D+00 -0.428486D+01
      3  -0.124676D+01  0.175404D+02 -0.582804D-02 -0.110559D+01 -0.794360D+01
      4  -0.323071D+01 -0.252829D+01 -0.979748D+01  0.143130D+01 -0.312280D+01
      5   0.921785D+01  0.241082D+00  0.234399D+01 -0.866714D+01  0.359147D+01
      6  -0.745774D+01  0.436980D+01 -0.134189D+01 -0.641499D+00 -0.216508D+01
                41            42            43            44            45 
      1   0.313354D+01 -0.126290D+01  0.303114D+01 -0.269102D+01  0.835872D+01
      2  -0.212526D+00 -0.256098D+01 -0.400926D-01  0.190096D+01 -0.274433D+01
      3  -0.292101D+01  0.382388D+01 -0.299105D+01  0.790062D+00 -0.561440D+01
      4   0.633380D+00 -0.203584D+01  0.140609D+01  0.944851D-01 -0.684571D+00
      5  -0.251861D+01 -0.257607D+01 -0.337924D+01 -0.194140D+01 -0.264468D+01
      6  -0.526347D+01 -0.821032D+01  0.621175D+00 -0.590968D+01 -0.367534D+00
                46            47            48            49            50 
      1  -0.170175D+02  0.709619D+01 -0.289815D+01  0.128770D+02 -0.550878D+01
      2   0.276482D+01  0.217166D+00 -0.475433D-02 -0.560603D+01 -0.565454D+01
      3   0.142527D+02 -0.731336D+01  0.290290D+01 -0.727094D+01  0.111633D+02
      4   0.112457D+02 -0.170917D+01 -0.167501D+01 -0.601396D+00  0.891389D-01
      5  -0.330786D+01 -0.491022D+01  0.418036D+01 -0.431067D+01 -0.489117D+01
      6  -0.828270D+01  0.747429D+00  0.111752D+01  0.916195D+00 -0.644885D+01
                51            52            53            54            55 
      1   0.527580D+01 -0.677757D+01  0.788801D+01  0.120333D+00  0.207786D+02
      2  -0.963618D+01  0.136408D+01 -0.131001D+02  0.614181D+00 -0.122506D+02
      3   0.436038D+01  0.541350D+01  0.521206D+01 -0.734515D+00 -0.852801D+01
      4  -0.686924D+01  0.139175D+01 -0.972138D+01  0.949416D+00  0.254446D+02
      5  -0.187151D+00  0.198942D+01 -0.174086D+01  0.687813D+01  0.282309D+02
      6   0.513822D+01  0.316092D+00  0.158158D+01  0.411828D+01  0.167573D+02
                56            57            58            59            60 
      1   0.365011D+01  0.397496D+01  0.394090D+01  0.897711D+00 -0.130377D+01
      2   0.690248D+00 -0.620932D+01  0.938726D+00  0.388628D+01 -0.538261D+00
      3  -0.434036D+01  0.223436D+01 -0.487963D+01 -0.478399D+01  0.184203D+01
      4   0.178939D+02  0.135220D+02  0.154263D+02  0.135384D+02  0.817438D+01
      5   0.148227D+02  0.206718D+02  0.110287D+02  0.104931D+02  0.862565D+01
      6   0.141611D+02  0.125086D+02  0.102512D+02  0.110202D+02  0.103973D+02
                61            62            63            64            65 
      1   0.201125D+01 -0.112050D+01 -0.334537D+00 -0.727779D+01  0.887529D+01
      2  -0.408506D+01 -0.203381D+01 -0.502782D+01 -0.236952D+01 -0.365233D+01
      3   0.207380D+01  0.315431D+01  0.536236D+01  0.964731D+01 -0.522295D+01
      4   0.727839D+01  0.582113D+01  0.802827D+01 -0.282464D+01  0.265913D+01
      5   0.139141D+02  0.767777D+01  0.121578D+02 -0.528836D+01  0.344082D+01
      6   0.741104D+01  0.852385D+01  0.104683D+02  0.972634D+01 -0.882065D+01
                66            67            68            69            70 
      1   0.166712D+02  0.423068D+01 -0.801865D+01 -0.800321D+01  0.106567D+02
      2   0.407497D+01 -0.259279D+01  0.315082D+01  0.179870D+01  0.202791D+01
      3  -0.207462D+02 -0.163789D+01  0.486783D+01  0.620451D+01 -0.126846D+02
      4   0.477781D+01  0.296551D+01 -0.107862D+01 -0.555936D-01  0.415726D+01
      5   0.700514D+01  0.260663D+01 -0.114058D+01  0.391470D+00  0.663853D+01
      6  -0.143332D+02 -0.419942D+01  0.797390D+01  0.131217D+02 -0.712627D+01
                71            72            73            74            75 
      1  -0.106809D+02 -0.277642D+02 -0.724012D+01  0.945208D+01  0.986335D+00
      2   0.414356D+00 -0.939542D+01  0.167114D+02 -0.183356D+02 -0.725060D+00
      3   0.102665D+02  0.371596D+02 -0.947125D+01  0.888347D+01 -0.261275D+00
      4   0.339021D+00 -0.164199D+01 -0.137273D+02  0.117278D+02 -0.114514D+01
      5   0.829034D+00 -0.155754D+01 -0.207017D+01  0.740119D+00  0.117890D+01
      6   0.148254D+02  0.240662D+02 -0.832590D-01 -0.175149D+01 -0.459862D+01
                76            77            78            79            80 
      1   0.221920D+01 -0.111017D+02 -0.168124D+00  0.588955D-01 -0.231526D+00
      2  -0.938632D+01  0.207890D+02 -0.157180D+01 -0.863749D+00 -0.831229D+00
      3   0.716712D+01 -0.968728D+01  0.173992D+01  0.804854D+00  0.106276D+01
      4   0.114002D+02 -0.742814D+01 -0.649909D+00  0.745645D-01 -0.120364D+01
      5   0.553805D+00 -0.151993D+01 -0.495715D+00  0.265381D+01 -0.591056D+00
      6  -0.123312D+01  0.465030D+00  0.372381D+01 -0.324349D+01  0.519653D+01
                81            82            83            84            85 
      1  -0.206961D+01  0.872585D+01 -0.664491D+01 -0.307433D+00 -0.366712D+01
      2   0.124344D+01  0.451779D+01  0.176032D+02 -0.368560D+01  0.111580D+02
      3   0.826169D+00 -0.132436D+02 -0.109583D+02  0.399304D+01 -0.749091D+01
      4  -0.141373D+01  0.139156D+02  0.188998D+02 -0.617169D+01  0.148390D+02
      5   0.464990D+00 -0.439833D+01 -0.377756D+01  0.507918D+01 -0.259832D+01
      6   0.129921D+01 -0.435067D+01 -0.541677D+01  0.684377D+01 -0.372788D+01
                86            87            88            89            90 
      1  -0.104011D+02  0.333237D+01  0.255126D+00  0.556155D+01 -0.305702D+01
      2   0.290031D+02 -0.822966D+01 -0.358495D+01 -0.119011D+02  0.417232D+01
      3  -0.186020D+02  0.489729D+01  0.332982D+01  0.633959D+01 -0.111530D+01
      4   0.210835D+02 -0.667768D+01 -0.617813D+01 -0.862387D+01  0.689098D+01
      5  -0.520756D+01  0.378767D+01  0.442890D+01  0.438229D+01 -0.458798D+01
      6  -0.888221D+01  0.726227D+01  0.524114D+01  0.940026D+01 -0.727211D+01
                91            92            93            94            95 
      1  -0.591529D+01 -0.269691D+02  0.722788D+01 -0.313174D+02  0.944267D+01
      2   0.100064D+02  0.127177D+02 -0.268863D+01  0.154177D+02 -0.951473D+01
      3  -0.409106D+01  0.142514D+02 -0.453925D+01  0.158997D+02  0.720597D-01
      4  -0.268983D+02  0.715880D+01 -0.215311D+01  0.538190D+01  0.135212D+02
      5   0.455112D+01 -0.494614D+00  0.144799D+02 -0.170397D+01  0.973627D+01
      6   0.342436D+01 -0.259917D+00 -0.240396D+01 -0.206669D+00 -0.274104D+01
                96            97            98            99           100 
      1  -0.152615D+01  0.735298D+01  0.103512D+01  0.179066D+02  0.963162D+01
      2  -0.238669D+01 -0.190899D+01 -0.577355D+01 -0.658974D+01 -0.119856D+02
      3   0.391284D+01 -0.544399D+01  0.473843D+01 -0.113169D+02  0.235398D+01
      4   0.124082D+02 -0.326934D+01  0.127519D+02 -0.632916D+01 -0.106765D+02
      5  -0.537093D+01  0.163656D+02 -0.396052D+01 -0.166367D+02  0.205359D+02
      6  -0.727815D+00 -0.277810D+01  0.104726D+01  0.365201D+01 -0.854316D+01
               101           102           103           104           105 
      1  -0.298750D+01  0.209665D+01 -0.237730D+01 -0.324843D+01  0.380658D+01
      2   0.366627D+01 -0.113757D+02  0.325105D+01 -0.824101D+00  0.396476D+01
      3  -0.678771D+00  0.927906D+01 -0.873754D+00  0.407253D+01 -0.777134D+01
      4   0.929599D+01 -0.811772D+01  0.949028D+01 -0.933938D+01  0.977285D+01
      5  -0.101426D+02  0.236353D+02 -0.103426D+02  0.115224D+02 -0.127830D+02
      6   0.664536D+01 -0.845878D+01  0.723772D+01 -0.107607D+02  0.145564D+02
               106           107           108           109           110 
      1  -0.482672D+00  0.343332D+01 -0.788135D+01 -0.119382D+00 -0.827031D+00
      2  -0.962647D+01  0.437754D+01 -0.170858D+02  0.259518D+01  0.204172D+01
      3   0.101091D+02 -0.781086D+01  0.249671D+02 -0.247580D+01 -0.121468D+01
      4  -0.624628D+01  0.732071D+01 -0.102191D+02  0.550196D+00  0.553877D+01
      5   0.203846D+02 -0.109897D+02  0.284566D+02 -0.772306D+00 -0.212322D+01
      6  -0.740907D+01  0.117523D+02 -0.148541D+02 -0.262921D+01 -0.134839D+01
               111           112           113           114           115 
      1   0.106072D+01 -0.943751D+00 -0.253182D+02  0.968554D+01  0.248746D+01
      2   0.221012D+00  0.231964D+01  0.357244D+02 -0.735065D+01  0.701371D-01
      3  -0.128173D+01 -0.137589D+01 -0.104061D+02 -0.233488D+01 -0.255760D+01
      4  -0.112970D+01  0.581840D+01  0.153785D+01 -0.127140D+01 -0.211097D+00
      5   0.305503D+01 -0.355502D+01 -0.423058D+01  0.117757D+01  0.271598D+01
      6   0.111386D+01 -0.397365D+01 -0.270736D+02  0.131510D+02  0.161326D+01
               116           117           118           119           120 
      1   0.517891D+01 -0.513065D+01  0.206358D+01 -0.114825D+01  0.473265D+01
      2  -0.209410D+01  0.298064D+01 -0.987343D+01  0.159415D+01  0.773098D+01
      3  -0.308482D+01  0.215001D+01  0.780986D+01 -0.445894D+00 -0.124636D+02
      4  -0.319154D-01  0.320924D+00  0.162495D+01  0.157374D+01 -0.152105D+01
      5   0.703218D+00 -0.176824D+01 -0.121608D+02  0.119886D+01  0.130387D+02
      6   0.936563D+01 -0.584683D+01  0.108177D+00 -0.268341D+01  0.212019D+01
               121           122           123           124           125 
      1  -0.708008D-01 -0.359777D+01 -0.356015D+01  0.338752D+01 -0.279833D-01
      2   0.295736D+01  0.109042D+01 -0.498288D+01  0.766124D+01 -0.273675D+01
      3  -0.288656D+01  0.250735D+01  0.854303D+01 -0.110488D+02  0.276473D+01
      4   0.117564D+01 -0.723485D+00 -0.102945D+01 -0.173416D+01 -0.124279D+01
      5   0.453016D+01 -0.277581D+01 -0.417331D+01  0.119983D+02 -0.333674D+00
      6  -0.224873D+01  0.283962D+00  0.416610D+01  0.213173D+01  0.473785D+01
               126           127           128           129           130 
      1  -0.128918D+02  0.770914D+01  0.545808D+00  0.953232D+00  0.370506D+01
      2  -0.133307D+02 -0.247395D+01  0.147235D+00 -0.479029D+00 -0.193469D+01
      3   0.262225D+02 -0.523519D+01 -0.693043D+00 -0.474203D+00 -0.177038D+01
      4   0.178586D+01  0.302512D+00  0.344891D+01  0.199579D+01  0.520955D+01
      5  -0.135650D+02  0.159262D+01  0.161074D+01  0.296762D+01  0.232622D+01
      6  -0.197811D+01  0.278198D+01  0.106338D+01  0.173890D+01  0.107025D+01
               131           132           133           134           135 
      1  -0.851386D+01 -0.486282D+01  0.198633D+01 -0.406080D+01 -0.788254D+01
      2   0.100522D+02  0.429384D+01 -0.166302D+01  0.245825D+01  0.132057D+01
      3  -0.153830D+01  0.568978D+00 -0.323318D+00  0.160255D+01  0.656197D+01
      4   0.256178D+01  0.234495D+01  0.186821D+01  0.203516D+01  0.228128D+01
      5   0.231089D+01  0.261431D+01  0.366387D+01  0.263795D+01  0.409308D+01
      6   0.893680D+01  0.832298D+01  0.133221D+01  0.740512D+01  0.835029D+01
               136           137           138           139           140 
      1   0.281106D+02 -0.685626D+01  0.453169D+01 -0.220446D+02 -0.192203D+01
      2  -0.150102D+02  0.139897D+01 -0.235324D+01  0.113208D+02  0.417713D+01
      3  -0.131004D+02  0.545729D+01 -0.217846D+01  0.107238D+02 -0.225510D+01
      4  -0.762905D+01  0.168994D+02 -0.137589D+01  0.109913D+02 -0.472608D+01
      5   0.292166D+01 -0.121325D+01  0.151032D+02 -0.212145D+01  0.132187D+01
      6  -0.843257D+00 -0.598998D+00  0.402210D+00 -0.976616D-01  0.182119D+00
               141           142           143           144           145 
      1   0.255490D+00  0.357138D+01  0.866203D+00 -0.481419D+01  0.111195D+02
      2   0.496481D+00 -0.112880D+01 -0.284218D+00  0.979876D+00 -0.171015D+01
      3  -0.751971D+00 -0.244258D+01 -0.581986D+00  0.383431D+01 -0.940933D+01
      4   0.141930D+01 -0.118981D+01 -0.384344D+00 -0.272537D+01 -0.680185D+01
      5   0.687128D+00  0.124179D+01 -0.147257D+01  0.521356D+00  0.464364D+01
      6   0.522091D+01  0.720378D+00  0.333674D+01 -0.925679D+00  0.252194D+02
               146           147           148           149           150 
      1  -0.627153D+01  0.479386D+01 -0.607141D+01  0.940324D+01  0.680734D+01
      2   0.326684D+01 -0.312151D+01  0.335300D+01  0.916925D+01  0.777031D+01
      3   0.300469D+01 -0.167236D+01  0.271841D+01 -0.185725D+02 -0.145776D+02
      4  -0.900417D+01  0.102217D+02 -0.864603D+01  0.190120D+01  0.561254D+01
      5   0.209906D+02 -0.164128D+02  0.206161D+02  0.437097D+01  0.190431D+01
      6  -0.136657D+01 -0.241314D+00 -0.127842D+01 -0.409001D+01 -0.206022D+02
               151           152           153           154           155 
      1   0.371086D+01  0.341507D+01 -0.804129D+01  0.111696D+01  0.312663D+02
      2  -0.168408D+01  0.885873D+01 -0.605031D+01  0.610711D+00 -0.161692D+02
      3  -0.202678D+01 -0.122738D+02  0.140916D+02 -0.172768D+01 -0.150971D+02
      4   0.587701D+01  0.452589D+01  0.145179D+01  0.309321D+02 -0.380928D+01
      5  -0.128952D+02  0.183008D+01 -0.415794D+01 -0.170398D+02  0.447605D+01
      6  -0.419237D+00 -0.149398D+02 -0.121665D+02 -0.128421D+01 -0.463955D+00
               156           157           158           159           160 
      1  -0.190010D+02  0.366766D+02 -0.737488D+01  0.816498D+01 -0.246510D+02
      2   0.628793D+01 -0.201935D+02  0.385813D+00 -0.420403D+01  0.602668D+01
      3   0.127131D+02 -0.164831D+02  0.698907D+01 -0.396095D+01  0.186243D+02
      4   0.466729D+01 -0.814547D+01 -0.261880D+02 -0.147600D+02  0.727902D+01
      5  -0.201091D+02  0.762551D+01 -0.140310D+02  0.619031D+01 -0.308224D+02
      6  -0.337779D+00 -0.991125D+00  0.867685D+00  0.128069D+01  0.200506D+00
               161           162           163           164           165 
      1   0.765238D+01 -0.222134D+02  0.949900D+01  0.251765D+02 -0.803988D+01
      2  -0.397699D+01  0.190134D+02 -0.222701D+02 -0.123841D+02 -0.395754D+01
      3  -0.367539D+01  0.320005D+01  0.127711D+02 -0.127924D+02  0.119974D+02
      4  -0.152380D+02  0.488967D+01  0.210796D+02 -0.200641D+02  0.998276D+01
      5   0.491437D+01  0.322970D+02 -0.871071D+01  0.243045D+01 -0.873997D+01
      6   0.641509D+00  0.163496D+01  0.406435D+01 -0.670632D+01  0.819402D+01
               166           167           168           169           170 
      1   0.240269D+02 -0.100819D+02 -0.629355D+00 -0.108109D+02  0.160023D+01
      2  -0.120978D+02  0.931563D+01  0.102493D+02 -0.485581D+01  0.134796D+02
      3  -0.119291D+02  0.766273D+00 -0.961998D+01  0.156667D+02 -0.150799D+02
      4  -0.164513D+02 -0.818182D+01 -0.145491D+02  0.124896D+02 -0.175368D+02
      5   0.228756D+01 -0.119523D+02  0.174839D+01 -0.126963D+02  0.720184D+01
      6  -0.564653D+01  0.129507D+02  0.208850D+00  0.110178D+02 -0.401678D+01
               171           172           173           174           175 
      1  -0.396879D+01 -0.553165D+01  0.787524D+01 -0.121381D+02  0.608186D+01
      2   0.115000D+02 -0.784426D+00 -0.414392D+01 -0.347238D+01 -0.346621D+01
      3  -0.753124D+01  0.631608D+01 -0.373133D+01  0.156104D+02 -0.261565D+01
      4   0.127269D+02 -0.703551D+01  0.548179D+01 -0.449926D+01  0.603568D+01
      5   0.248521D+02  0.179502D+02 -0.987968D+01  0.118930D+02 -0.108316D+02
      6  -0.193235D+02 -0.141573D+02  0.127196D+02 -0.114768D+02  0.981277D+01
               176           177           178           179           180 
      1  -0.104514D+02  0.849837D+01 -0.548052D+01  0.473693D+01 -0.858147D+01
      2   0.581056D+01 -0.671211D+00 -0.236623D+01 -0.223825D+00 -0.312233D+01
      3   0.464088D+01 -0.782716D+01  0.784675D+01 -0.451311D+01  0.117038D+02
      4  -0.373525D+01  0.121441D+01 -0.246655D+01  0.116601D+01 -0.226913D+01
      5   0.533282D+01 -0.492885D+01  0.817385D+01 -0.359374D+01  0.705182D+01
      6  -0.133562D+02  0.140908D+02 -0.621531D+01  0.885033D+01 -0.803771D+01
               181           182           183           184           185 
      1   0.705259D+01 -0.659227D+00  0.458040D+01  0.854395D+00 -0.510866D+01
      2  -0.712491D+01  0.332270D+00  0.732031D+01 -0.221720D+00  0.286175D+01
      3   0.723166D-01  0.326957D+00 -0.119007D+02 -0.632674D+00  0.224691D+01
      4   0.133662D+02  0.109153D+02 -0.829904D+01  0.103231D+02  0.956904D+01
      5  -0.232088D+02 -0.132999D+02  0.191779D+02 -0.133351D+02 -0.100759D+02
      6  -0.132086D+02 -0.117449D+02  0.110333D+02 -0.895179D+01 -0.125501D+02
               186           187           188           189           190 
      1   0.533944D+01  0.162043D+01  0.269513D+01 -0.401577D+01 -0.202100D+01
      2   0.105898D+01  0.456620D+01  0.899439D+00 -0.563053D+01 -0.148561D+01
      3  -0.639842D+01 -0.618663D+01 -0.359456D+01  0.964630D+01  0.350660D+01
      4  -0.657447D+01 -0.440811D+01 -0.393170D+01  0.516807D+01 -0.112924D+00
      5   0.930016D+01  0.130676D+02  0.623021D+01 -0.117620D+02 -0.815804D+00
      6   0.133721D+02  0.637650D+01  0.886775D+01 -0.769564D+01  0.468651D+00
               191           192           193           194           195 
      1  -0.430993D+00 -0.234878D+01 -0.970617D+00 -0.905309D+01 -0.144133D+02
      2  -0.433729D+00  0.215402D+00 -0.268497D+00 -0.364532D+01 -0.114600D+02
      3   0.864722D+00  0.213338D+01  0.123911D+01  0.126984D+02  0.258733D+02
      4   0.304385D+01 -0.545759D-01  0.273305D+01 -0.580486D+01 -0.331435D+01
      5   0.125565D+01  0.633854D+01  0.405834D+01 -0.286668D+01 -0.456182D+01
      6   0.587625D+00  0.617727D+00  0.562820D+00  0.209611D+02  0.158051D+02
               196           197           198           199           200 
      1  -0.151299D+01 -0.690878D+01 -0.138467D+02  0.837907D+00  0.482838D+01
      2   0.317689D+00 -0.717015D+01 -0.128095D+02  0.631781D+00  0.368937D+00
      3   0.119530D+01  0.140789D+02  0.266563D+02 -0.146969D+01 -0.519732D+01
      4   0.158360D-02 -0.245033D+01 -0.288643D+01  0.530935D+01  0.110711D+02
      5   0.586518D+01 -0.241404D+01 -0.456831D+01  0.399262D+01  0.914385D+00
      6   0.413816D+00  0.128015D+02  0.120257D+02  0.149416D+01 -0.116391D-02
               201           202           203           204           205 
      1   0.597065D+01  0.162303D+02  0.405488D+01 -0.202918D+01  0.116458D+02
      2  -0.195785D+01 -0.515077D+01  0.896155D+01  0.212799D+01 -0.411838D+01
      3  -0.401280D+01 -0.110796D+02 -0.130164D+02 -0.988099D-01 -0.752741D+01
      4   0.179954D+01  0.178555D+02  0.414651D+02  0.699334D+01  0.262692D+01
      5   0.281559D+01 -0.368202D+00  0.679431D+01  0.753317D+01  0.455056D+01
      6  -0.102036D+00 -0.661994D+00 -0.257969D+00  0.389253D+01 -0.695543D+00
               206           207           208           209           210 
      1  -0.905203D+00 -0.129229D+01  0.626248D+02 -0.155529D+02  0.171051D+02
      2   0.122214D+01 -0.588409D+00 -0.311195D+02  0.705214D+01 -0.891740D+01
      3  -0.316935D+00  0.188070D+01 -0.315053D+02  0.850073D+01 -0.818774D+01
      4   0.799086D+01  0.432312D+01 -0.165180D+02  0.124531D+02 -0.473377D+01
      5   0.507031D+01  0.158940D+01  0.182154D+02 -0.483291D+01  0.151992D+02
      6   0.332235D+01  0.216214D+01 -0.428264D+00  0.360949D+00 -0.280560D+00
               211           212           213           214           215 
      1  -0.309891D+02  0.116290D+02 -0.671995D+01  0.326202D+02 -0.686923D+01
      2   0.144549D+02 -0.299276D+01  0.339344D+01 -0.169632D+02  0.345268D+01
      3   0.165342D+02 -0.863627D+01  0.332652D+01 -0.156569D+02  0.341655D+01
      4   0.172048D+02 -0.113423D+02  0.703809D+01 -0.832843D+01  0.970411D+01
      5  -0.828867D+01  0.686709D+01 -0.891808D+01  0.216212D+02 -0.622365D+01
      6   0.126373D+01 -0.124254D+01  0.176535D+01 -0.119132D+01  0.195875D+01
               216           217           218           219           220 
      1   0.151860D+02  0.177680D+02 -0.223380D+01 -0.102384D+02 -0.578664D+01
      2  -0.106487D+02 -0.122155D+02  0.109721D+01  0.821294D+01  0.337147D+01
      3  -0.453728D+01 -0.555248D+01  0.113659D+01  0.202543D+01  0.241517D+01
      4  -0.576447D+01 -0.140516D+01  0.397960D+01 -0.136931D+01  0.617380D+01
      5   0.122389D+02 -0.144905D+02 -0.845737D+00  0.185340D+02  0.605414D+00
      6  -0.169246D+01 -0.470329D+00 -0.110297D+01  0.983814D+00 -0.195564D+01
               221           222           223           224           225 
      1   0.225915D+01 -0.213380D+00 -0.228759D+02 -0.194263D+01  0.130405D+02
      2  -0.129251D+01 -0.176514D+00  0.181066D+02  0.106571D+01 -0.217308D+02
      3  -0.966640D+00  0.389894D+00  0.476931D+01  0.876919D+00  0.869030D+01
      4   0.181538D+01 -0.468651D+01 -0.235645D+01 -0.737718D+01  0.508979D-01
      5  -0.431077D+01 -0.242648D+01  0.315503D+02 -0.815920D-01 -0.481892D+02
      6   0.303368D+00  0.391056D+01  0.109461D+01  0.435308D+01 -0.266919D+01
               226           227           228           229           230 
      1  -0.146032D+02 -0.182184D+02  0.605910D-01 -0.134827D+02 -0.174662D+02
      2   0.139413D+02  0.223537D+02  0.774114D+00  0.148722D+02  0.244721D+02
      3   0.661993D+00 -0.413529D+01 -0.834705D+00 -0.138949D+01 -0.700591D+01
      4   0.117979D+02  0.311099D+00 -0.263056D+01  0.471848D+01  0.161164D+00
      5   0.587382D+01  0.804455D+00 -0.453905D+00  0.157275D+01  0.272207D+01
      6  -0.674274D+00  0.409699D+01  0.406610D+01  0.192386D+01  0.185041D+01
               231           232           233           234           235 
      1  -0.170027D+00  0.217069D+01  0.781394D+00 -0.330649D+01  0.400693D+01
      2  -0.105913D+01 -0.558449D-01 -0.380130D+01  0.152848D+01 -0.206684D+01
      3   0.122916D+01 -0.211485D+01  0.301991D+01  0.177801D+01 -0.194009D+01
      4   0.749730D+00 -0.212766D+01  0.321684D+01 -0.451974D+00 -0.740146D+01
      5  -0.938784D+00  0.142993D+01 -0.155649D+01 -0.177276D+01 -0.783809D+01
      6   0.421807D+01  0.162920D+01  0.400830D+01  0.155029D+01  0.412608D+01
               236           237           238           239           240 
      1  -0.296480D+01 -0.332124D+01 -0.990775D+00 -0.178774D+01 -0.330316D+01
      2   0.201549D+00  0.496596D+01 -0.809636D+00  0.153886D+01  0.303481D+01
      3   0.276325D+01 -0.164473D+01  0.180041D+01  0.248875D+00  0.268356D+00
      4   0.752804D+01  0.460621D+01  0.448741D+01 -0.262937D+01 -0.318700D+01
      5   0.317183D+01  0.117018D+02  0.402271D+00 -0.331071D+01 -0.238224D+01
      6  -0.216528D+01 -0.649715D+01 -0.138959D+01  0.355838D+01  0.747457D+01
               241           242           243           244           245 
      1  -0.417545D+01 -0.569001D+01 -0.861923D+01  0.240973D+02 -0.114972D+02
      2   0.613136D+01  0.457945D+01 -0.118221D+02  0.798172D+00 -0.868844D+01
      3  -0.195591D+01  0.111056D+01  0.204414D+02 -0.248954D+02  0.201857D+02
      4   0.828822D+01 -0.103167D+02 -0.135217D+02 -0.349253D+02  0.320420D+02
      5   0.156013D+02 -0.106851D+02 -0.339160D+02  0.529265D+01 -0.313082D+01
      6  -0.941254D+01  0.145874D+02  0.294377D+02 -0.502038D+01  0.353332D+01
               246           247           248           249           250 
      1   0.577992D+01 -0.870889D+01  0.270225D+01 -0.739396D+00  0.101469D+02
      2   0.762200D+00 -0.663524D+01  0.162471D+02 -0.426431D+01  0.899520D+00
      3  -0.654212D+01  0.153441D+02 -0.189494D+02  0.500371D+01 -0.110464D+02
      4  -0.810994D+01  0.242562D+02 -0.273451D+02  0.783262D+01 -0.162817D+02
      5   0.818217D+01 -0.236157D+01  0.492304D+01 -0.401352D+01  0.891212D+01
      6  -0.730941D+01  0.347077D+01 -0.488416D+01  0.554029D+01 -0.747167D+01
               251           252           253           254           255 
      1  -0.221546D+01  0.335483D+01 -0.124062D+02  0.134691D+02 -0.214465D+01
      2  -0.884185D+01  0.916652D-03  0.519695D+01 -0.310624D+01  0.146570D+01
      3   0.110573D+02 -0.335574D+01  0.720927D+01 -0.103629D+02  0.678957D+00
      4   0.177267D+02 -0.103055D+02  0.177162D+02 -0.174098D+02 -0.649808D+00
      5  -0.703839D+01  0.528899D+01 -0.205341D+01 -0.451774D+00 -0.178788D+02
      6   0.766236D+01 -0.522988D+01  0.437775D+00 -0.368636D+00  0.235024D+01
               256           257           258           259           260 
      1   0.763648D+00 -0.291199D+01 -0.187536D+01 -0.780524D+00 -0.496304D+00
      2  -0.280250D+01 -0.103988D+02  0.101485D-02  0.191580D+00  0.171774D+01
      3   0.203886D+01  0.133108D+02  0.187434D+01  0.588943D+00 -0.122144D+01
      4  -0.303022D+02 -0.413386D+02  0.220955D+01  0.246015D+01  0.355455D+01
      5   0.143340D+01  0.191428D+01 -0.112967D+02  0.696663D+01 -0.551028D+01
      6  -0.953096D+00  0.649897D+00 -0.897817D+01  0.796654D+00  0.420422D+01
               261           262           263           264           265 
      1  -0.137565D+01 -0.224386D+02 -0.372320D+02  0.372287D+01 -0.556120D+02
      2  -0.669206D+01  0.159026D+02  0.169959D+02 -0.235291D+01  0.264912D+02
      3   0.806771D+01  0.653592D+01  0.202362D+02 -0.136996D+01  0.291209D+02
      4  -0.524006D+01 -0.413941D+02  0.815678D+01  0.123010D+01 -0.389784D+01
      5   0.358757D+01  0.380864D+01  0.110726D+01  0.618020D+01  0.128214D+01
      6   0.208700D+01 -0.107771D+01 -0.517239D+00 -0.234523D+01 -0.898634D-01
               266           267           268           269           270 
      1  -0.260622D+01  0.207635D+01  0.584873D+01  0.188513D+01  0.522096D+01
      2   0.268858D+01 -0.350166D+01 -0.203743D+01 -0.404193D+01 -0.581770D+01
      3  -0.823616D-01  0.142531D+01 -0.381130D+01  0.215681D+01  0.596740D+00
      4   0.185081D+02  0.345121D+01  0.142316D+01  0.465116D+01  0.360006D+02
      5   0.384864D+01  0.317250D+02 -0.744237D+01  0.382001D+02 -0.857646D+01
      6  -0.189032D+01 -0.102603D+02  0.538969D+01 -0.143965D+02  0.288179D+01
               271           272           273           274           275 
      1   0.167045D+02  0.113774D+02 -0.163964D+01  0.389464D+02 -0.105478D+02
      2  -0.527225D+01 -0.366003D+01  0.537739D+00 -0.120060D+02  0.327499D+02
      3  -0.114323D+02 -0.771741D+01  0.110190D+01 -0.269405D+02 -0.222021D+02
      4   0.176759D+02  0.215040D+02 -0.505453D+00  0.367477D+02  0.741218D+02
      5  -0.116138D+01 -0.485763D+00  0.101674D+02 -0.260516D+00 -0.298477D+01
      6  -0.332760D+00  0.200021D+00  0.342435D+00  0.922995D+00 -0.327375D+00
               276           277           278           279           280 
      1   0.180958D+01 -0.338341D+01  0.994894D+00 -0.209711D+00  0.729413D+01
      2  -0.992234D+00  0.166011D+01 -0.142880D+01  0.113627D+01 -0.440178D+01
      3  -0.817343D+00  0.172331D+01  0.433906D+00 -0.926555D+00 -0.289236D+01
      4  -0.303119D+01 -0.149385D+01 -0.418802D+01  0.168536D+02 -0.157685D+01
      5   0.169820D+02  0.129148D+02  0.158169D+02 -0.434545D+01  0.636771D+01
      6   0.149016D+02  0.347980D+01  0.113277D+02 -0.208878D+01 -0.280126D+01
               281           282           283           284           285 
      1  -0.214239D+01  0.706223D+01 -0.838962D+01  0.265426D+00  0.181968D+01
      2   0.116677D+01 -0.320858D+01  0.318414D+01  0.459027D+01 -0.203762D+01
      3   0.975624D+00 -0.385365D+01  0.520548D+01 -0.485569D+01  0.217943D+00
      4   0.237180D+01 -0.306894D+01  0.140561D+02 -0.276436D+02  0.148214D+02
      5  -0.251057D+01  0.426545D+01 -0.643418D+01  0.152730D+02 -0.220510D+02
      6   0.132312D+00 -0.163252D+00  0.299087D+01 -0.895531D+01  0.106011D+02
               286           287           288           289           290 
      1   0.183772D+02 -0.235491D+00 -0.216939D+01  0.977252D+02  0.191501D+02
      2  -0.103658D+02 -0.810995D+00 -0.473511D+01 -0.519717D+02 -0.112618D+02
      3  -0.801146D+01  0.104649D+01  0.690451D+01 -0.457535D+02 -0.788829D+01
      4  -0.124102D+02  0.215363D+02 -0.228417D+02  0.139518D+02  0.148321D+02
      5   0.170279D+02 -0.243299D+02  0.404944D+02 -0.149792D+01 -0.358061D+00
      6  -0.524999D+01  0.124514D+02 -0.143563D+02  0.835136D+00  0.379076D+00
               291           292           293           294           295 
      1  -0.236696D+01  0.428466D+02  0.145484D+02 -0.884507D+00 -0.525856D+01
      2   0.121872D+01 -0.228273D+02 -0.691894D+01  0.678771D+00  0.275754D+01
      3   0.114824D+01 -0.200193D+02 -0.762947D+01  0.205735D+00  0.250102D+01
      4  -0.397017D+00  0.163419D+02  0.134162D+02 -0.993198D+00 -0.406927D+00
      5   0.134342D+02 -0.530854D+00 -0.911619D+00  0.436718D+01  0.133607D+02
      6  -0.731135D+00  0.415566D+00  0.407206D+00  0.182720D+01 -0.166769D+00
               296           297           298           299           300 
      1  -0.771441D+00  0.897527D+01  0.604408D+01 -0.300000D+01 -0.650456D+01
      2   0.801809D+00 -0.553490D+01 -0.273418D+01  0.174353D+01  0.291907D+01
      3  -0.303683D-01 -0.344037D+01 -0.330990D+01  0.125648D+01  0.358549D+01
      4  -0.154726D+01 -0.503938D+00 -0.175358D+01  0.194575D+01  0.230892D+01
      5  -0.164785D+00 -0.829715D+00 -0.541944D+01  0.160665D+01  0.213140D+01
      6   0.262068D+01 -0.185326D+00  0.285088D+01  0.330453D+00  0.317704D+00
               301           302           303           304           305 
      1  -0.105053D+02 -0.100793D+01 -0.305356D+01 -0.169682D+02 -0.893076D+00
      2   0.343082D+01  0.926101D+01  0.484452D+01  0.811159D+01  0.423369D+01
      3   0.707450D+01 -0.825309D+01 -0.179096D+01  0.885656D+01 -0.334061D+01
      4   0.157148D+02 -0.354668D+02 -0.162000D+02  0.112969D+02 -0.237298D+02
      5   0.492199D+01 -0.170754D+02 -0.218256D+02  0.127001D+02 -0.237046D+02
      6  -0.277582D+01  0.988640D+01  0.100496D+02 -0.448793D+01  0.120322D+02
               306 
      1  -0.254323D+01
      2  -0.307577D+00
      3   0.285081D+01
      4  -0.221118D+02
      5  -0.289098D+02
      6   0.115434D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x         -0.399882D+00     -0.101640D+01     -0.339034D+01
   y         -0.682884D+00     -0.173572D+01     -0.578973D+01
   z          0.429923D-01      0.109275D+00      0.364504D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.158276D+03      0.234541D+02      0.260962D+02
   yx        -0.240980D+01     -0.357096D+00     -0.397323D+00
   yy         0.133105D+03      0.197241D+02      0.219461D+02
   zx        -0.747736D+00     -0.110803D+00     -0.123285D+00
   zy        -0.361990D+00     -0.536414D-01     -0.596841D-01
   zz         0.127568D+03      0.189036D+02      0.210331D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.145217D+03      0.215190D+02      0.239431D+02
   aniso      0.293146D+02      0.434397D+01      0.483332D+01
   xx         0.164271D+03      0.243425D+02      0.270847D+02
   yx        -0.214268D+01     -0.317513D+00     -0.353281D+00
   yy         0.138657D+03      0.205469D+02      0.228615D+02
   zx        -0.754780D+00     -0.111847D+00     -0.124446D+00
   zy        -0.443423D+00     -0.657085D-01     -0.731106D-01
   zz         0.132723D+03      0.196676D+02      0.218831D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.34695539         -2.31069830          3.00693544
     6          0.03945243         -0.67474234          3.50351449
     6         -3.51318183         -1.05140682          0.65840305
     6         -1.76681862         -1.66169624         -1.58772636
     6          0.53733811          0.07168775         -1.10622672
     6         -0.05989549          1.37756853          1.42362544
     1         -3.63933844         -2.27305025          4.60982776
     1         -1.88515324         -4.28626128          2.64759821
     1          1.78335553         -1.75617724          3.39220290
     1         -0.01086082          0.20118038          5.36677333
     6         -2.97942034          1.79879542          1.12318670
     1         -5.49063769         -1.53145194          0.33654259
     1         -2.62723785         -1.25132595         -3.40940302
     1         -1.20422537         -3.64270666         -1.61150070
     1          0.76715778          1.44793784         -2.61387263
     8          2.90101757         -1.28117164         -0.91875038
     6          1.56922386          3.67089415          1.94901378
     6         -4.25097632          2.86656971          3.49082437
     6         -3.73912729          3.51006932         -1.08623449
     1          3.55697880          3.13338197          2.08104736
     1          1.04425832          4.56627264          3.73147236
     1          1.39916625          5.07814373          0.44897471
     1         -3.77933215          1.84906818          5.21222330
     1         -6.30279431          2.80858322          3.27245649
     1         -3.71932848          4.84102964          3.76701742
     1         -2.99857373          2.90837450         -2.90629655
     1         -3.09662191          5.44331854         -0.75827108
     1         -5.79583413          3.56853285         -1.24864692
     6          3.96889239         -2.01437686         -3.10785903
     6          6.42230969         -3.37242435         -2.63578167
     8          3.05601585         -1.62477918         -5.15752291
     1          7.70758109         -2.16007553         -1.57472492
     1          7.27041796         -3.90321399         -4.42796785
     1          6.07971368         -5.05539624         -1.49529810

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.792518D+00      0.201438D+01      0.671925D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.147263D+03      0.218221D+02      0.242804D+02
   yx        -0.114901D+02     -0.170266D+01     -0.189447D+01
   yy         0.134209D+03      0.198878D+02      0.221281D+02
   zx        -0.838645D+01     -0.124274D+01     -0.138274D+01
   zy         0.508694D+01      0.753806D+00      0.838722D+00
   zz         0.137477D+03      0.203719D+02      0.226668D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.145217D+03      0.215190D+02      0.239431D+02
   aniso      0.293146D+02      0.434397D+01      0.483332D+01
   xx         0.152830D+03      0.226471D+02      0.251983D+02
   yx        -0.116820D+02     -0.173110D+01     -0.192610D+01
   yy         0.139441D+03      0.206630D+02      0.229907D+02
   zx        -0.864703D+01     -0.128136D+01     -0.142570D+01
   zy         0.527798D+01      0.782115D+00      0.870221D+00
   zz         0.143381D+03      0.212468D+02      0.236403D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-27\Freq\RwB97XD\Gen\C12H20O2\PIERPA\10-Jul-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
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 1.220521,-1.593952\C,-0.772379,-1.711714,-0.196556\C,-1.356487,0.30193
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 8201,-1.466626,-2.381766\H,0.193323,-2.210778,-0.227221\H,-1.481233,-2
 .413249,0.242895\C,-1.88835,0.419572,0.056917\H,-1.959508,0.80511,-2.1
 54682\H,0.128882,1.932113,-1.369936\H,0.741881,0.427523,-2.028774\H,0.
 689863,1.251037,0.790022\O,1.689332,-0.414672,0.16404\C,-0.691646,-0.6
 56663,2.148773\C,-3.263934,-0.215407,0.272245\C,-1.976808,1.860613,0.5
 70939\H,0.188258,-1.234779,2.438218\H,-1.57369,-1.214726,2.46804\H,-0.
 66649,0.284659,2.701973\H,-3.312198,-1.262484,-0.01636\H,-4.016543,0.3
 22861,-0.308315\H,-3.555175,-0.148366,1.322428\H,-1.062281,2.434735,0.
 442068\H,-2.228382,1.873406,1.633417\H,-2.771733,2.392658,0.043778\C,2
 .862479,0.235712,0.052007\C,4.017566,-0.72749,0.101407\O,2.958317,1.43
 0494,-0.072931\H,3.985571,-1.30206,1.027842\H,4.952347,-0.178454,0.034
 385\H,3.942814,-1.436137,-0.724719\\Version=ES64L-G16RevA.03\State=1-A
 \HF=-620.089649\RMSD=6.686e-09\RMSF=1.285e-05\ZeroPoint=0.3023462\Ther
 mal=0.3168827\Dipole=-0.3998819,-0.6828843,0.0429923\DipoleDeriv=0.139
 1452,0.031452,-0.0140674,0.0210828,-0.0050667,0.0331508,-0.0139158,0.0
 256004,0.0598177,0.0886784,0.0374395,-0.0264293,0.0051623,0.0356695,-0
 .0364008,-0.0207832,-0.0415216,-0.0143256,0.0655856,-0.0402185,0.05990
 55,-0.0184207,0.0638574,-0.0364955,0.0796501,-0.0657876,0.0948599,-0.0
 210304,-0.0157756,-0.0272621,0.0173599,0.1030075,0.0051879,-0.0196617,
 0.0445806,-0.057386,0.9337517,-0.0464471,0.0731825,-0.2998242,0.228819
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 37112,-0.0012377,-0.0013312,-0.0030879,-0.0161268,0.0013627,0.1465547,
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 08064,-0.0029483,0.0149785,-0.036711,0.0642316,0.1389099,0.0229902,0.0
 184508,-0.0278532,0.0656739,-0.0428593,-0.0976292,-0.0519708,0.1272928
 ,-0.0060781,0.0910833,0.0080988,0.0059091,0.0105815,-0.0082218,0.01851
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 1152248,0.0222736,-0.0170642,0.0392772,-0.0072428,-0.0647917,0.0548367
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 6501,0.0376132,-0.0209319,-0.0183432,-0.0170604,-0.127671,0.0422567,-0
 .032009,-0.0132835,0.0404238,-0.0471743,0.0228728,0.0879657,0.0689926,
 0.0209763,-0.0737688,0.0815118,-0.0147516,-0.0424825,-0.0095024,-0.029
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 IF YOU PERCEIVE THAT THERE ARE FOUR POSSIBLE WAYS IN
 WHICH A PROCEDURE CAN GO WRONG AND CIRCUMVENT THESE, 
 THEN A FIFTH WAY WILL DEVELOP.

                              -- MURPHY'S TWELFTH LAW
 Job cpu time:       0 days 23 hours 19 minutes 21.9 seconds.
 Elapsed time:       0 days  1 hours 56 minutes 54.5 seconds.
 File lengths (MBytes):  RWF=    684 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 10 01:11:45 2021.
